(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

C89H95Br5N20O11 — CID 158878688

IUPAC(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cc2ccccc2n1C.CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2.CNCc1cc2ccccc2n1C.COC(=O)C1Cc2cc(Br)cnc2NC1=O.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.Nc1ncccc1C(=O)O.Nc1ncccc1CO.O=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C22H22N4O2.C14H16N2O.C11H14N2.C10H9BrN2O3.C8H7BrN2O.C6H6Br2N2.C6H7BrN2O.C6H6N2O2.C6H8N2O/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15;1-4-14(17)15(2)10-12-9-11-7-5-6-8-13(11)16(12)3;1-12-8-10-7-9-5-3-4-6-11(9)13(10)2;1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14;9-6-3-5-1-2-7(12)11-8(5)10-4-6;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27);4-9H,1,10H2,2-3H3;3-7,12H,8H2,1-2H3;2,4,7H,3H2,1H3,(H,12,13,14);3-4H,1-2H2,(H,10,11,12);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);1-3H,(H2,7,8)(H,9,10);1-3,9H,4H2,(H2,7,8)/b10-7+;;;;;;;;
InChIKeyJCTMHXQAMWKGOE-ABZPGUJESA-N
MW2020.39 g/mol
LogP13.96
Rot. Bonds14

About (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (PubChem CID 158878688) has the molecular formula C89H95Br5N20O11 and a molecular weight of 2020.39 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
PubChem CID158878688
Molecular FormulaC89H95Br5N20O11
Molecular Weight2020.39 g/mol
Exact Mass2014.34
IUPAC Name(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1cc2ccccc2n1C.CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2.CNCc1cc2ccccc2n1C.COC(=O)C1Cc2cc(Br)cnc2NC1=O.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.Nc1ncccc1C(=O)O.Nc1ncccc1CO.O=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C22H22N4O2.C14H16N2O.C11H14N2.C10H9BrN2O3.C8H7BrN2O.C6H6Br2N2.C6H7BrN2O.C6H6N2O2.C6H8N2O/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15;1-4-14(17)15(2)10-12-9-11-7-5-6-8-13(11)16(12)3;1-12-8-10-7-9-5-3-4-6-11(9)13(10)2;1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14;9-6-3-5-1-2-7(12)11-8(5)10-4-6;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27);4-9H,1,10H2,2-3H3;3-7,12H,8H2,1-2H3;2,4,7H,3H2,1H3,(H,12,13,14);3-4H,1-2H2,(H,10,11,12);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);1-3H,(H2,7,8)(H,9,10);1-3,9H,4H2,(H2,7,8)/b10-7+;;;;;;;;
InChIKeyJCTMHXQAMWKGOE-ABZPGUJESA-N
XLogP13.96
TPSA453.11 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002020.39
LogP ≤ 513.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (CID 158878688) is (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is C=CC(=O)N(C)Cc1cc2ccccc2n1C.CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2.CNCc1cc2ccccc2n1C.COC(=O)C1Cc2cc(Br)cnc2NC1=O.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.Nc1ncccc1C(=O)O.Nc1ncccc1CO.O=C1CCc2cc(Br)cnc2N1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The InChIKey is JCTMHXQAMWKGOE-ABZPGUJESA-N. The full InChI is InChI=1S/C22H22N4O2.C14H16N2O.C11H14N2.C10H9BrN2O3.C8H7BrN2O.C6H6Br2N2.C6H7BrN2O.C6H6N2O2.C6H8N2O/c1-25(14-18-12-16-5-3-4-6-19(16)26(18)2)21(28)10-7-15-11-17-8-9-20(27)24-22(17)23-13-15;1-4-14(17)15(2)10-12-9-11-7-5-6-8-13(11)16(12)3;1-12-8-10-7-9-5-3-4-6-11(9)13(10)2;1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14;9-6-3-5-1-2-7(12)11-8(5)10-4-6;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27);4-9H,1,10H2,2-3H3;3-7,12H,8H2,1-2H3;2,4,7H,3H2,1H3,(H,12,13,14);3-4H,1-2H2,(H,10,11,12);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);1-3H,(H2,7,8)(H,9,10);1-3,9H,4H2,(H2,7,8)/b10-7+;;;;;;;;.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide has a molecular weight of 2020.39 g/mol, XLogP of 13.96, 14 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 158878688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).