5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate

C76H99BrN14O9 — CID 162130635

IUPAC5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate
SMILESCc1cc(N)c(C2CCOCC2)nc1Br.Cc1cc(N)c(C2CCOCC2)nc1C(N)=O.Cc1ccc(OC(=O)Nc2cc(C)cnc2C2CCOCC2)cc1.Cc1cnc(C2=CCOCC2)c(N)c1.Cc1cnc(C2CCOCC2)c(N)c1.[C-]#[N+]c1nc(C2CCOCC2)c(N)cc1C
InChIInChI=1S/C19H22N2O3.C12H17N3O2.C12H15N3O.C11H15BrN2O.C11H16N2O.C11H14N2O/c1-13-3-5-16(6-4-13)24-19(22)21-17-11-14(2)12-20-18(17)15-7-9-23-10-8-15;1-7-6-9(13)11(15-10(7)12(14)16)8-2-4-17-5-3-8;1-8-7-10(13)11(15-12(8)14-2)9-3-5-16-6-4-9;1-7-6-9(13)10(14-11(7)12)8-2-4-15-5-3-8;2*1-8-6-10(12)11(13-7-8)9-2-4-14-5-3-9/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,22);6,8H,2-5,13H2,1H3,(H2,14,16);7,9H,3-6,13H2,1H3;6,8H,2-5,13H2,1H3;6-7,9H,2-5,12H2,1H3;2,6-7H,3-5,12H2,1H3
InChIKeyZIPPZNQMFGDPEH-UHFFFAOYSA-N
MW1432.62 g/mol
LogP13.86
Rot. Bonds9

About 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate

5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate (PubChem CID 162130635) has the molecular formula C76H99BrN14O9 and a molecular weight of 1432.62 g/mol. Its IUPAC name is 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate
PubChem CID162130635
Molecular FormulaC76H99BrN14O9
Molecular Weight1432.62 g/mol
Exact Mass1430.69
IUPAC Name5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate
SMILESCc1cc(N)c(C2CCOCC2)nc1Br.Cc1cc(N)c(C2CCOCC2)nc1C(N)=O.Cc1ccc(OC(=O)Nc2cc(C)cnc2C2CCOCC2)cc1.Cc1cnc(C2=CCOCC2)c(N)c1.Cc1cnc(C2CCOCC2)c(N)c1.[C-]#[N+]c1nc(C2CCOCC2)c(N)cc1C
InChIInChI=1S/C19H22N2O3.C12H17N3O2.C12H15N3O.C11H15BrN2O.C11H16N2O.C11H14N2O/c1-13-3-5-16(6-4-13)24-19(22)21-17-11-14(2)12-20-18(17)15-7-9-23-10-8-15;1-7-6-9(13)11(15-10(7)12(14)16)8-2-4-17-5-3-8;1-8-7-10(13)11(15-12(8)14-2)9-3-5-16-6-4-9;1-7-6-9(13)10(14-11(7)12)8-2-4-15-5-3-8;2*1-8-6-10(12)11(13-7-8)9-2-4-14-5-3-9/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,22);6,8H,2-5,13H2,1H3,(H2,14,16);7,9H,3-6,13H2,1H3;6,8H,2-5,13H2,1H3;6-7,9H,2-5,12H2,1H3;2,6-7H,3-5,12H2,1H3
InChIKeyZIPPZNQMFGDPEH-UHFFFAOYSA-N
XLogP13.86
TPSA348.60 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001432.62
LogP ≤ 513.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;benzyl 4-[6-(phenoxymethylideneamino)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-ethyl-6-piperidin-4-ylpyridine;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine
CID 158606645
(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate
CID 159127452
5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate
CID 159406394
5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-carbamoyl-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate
CID 160338634
3-Bromo-2,6-bis(phenylmethoxy)pyridine;methyl 2-aminopyridine-3-carboxylate;methyl 2-[[2,6-bis(phenylmethoxy)-3-pyridinyl]methyl]pyridine-3-carboxylate;methyl 2-[(2,6-dioxopiperidin-3-yl)methyl]pyridine-3-carboxylate
CID 160478560
benzyl 4-(6-methoxy-5-methyl-2-pyridinyl)piperidine-1-carboxylate;2-(1-benzylpiperidin-4-yl)-6-phenylpyridine;2-ethyl-6-piperidin-4-ylpyridine;2-ethynyl-6-piperidin-4-ylpyridine;3-methyl-2-phenoxy-6-piperidin-4-ylpyridine;methyl N-(2-phenyl-6-piperidin-4-yl-3-pyridinyl)methanimidate;phenyl 3-bromo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylate;phenyl 3-methyl-6-piperidin-4-ylpyridine-2-carboxylate;3-phenyl-6-(1-phenylmethoxycarbonylpiperidin-4-yl)pyridine-2-carboxylic acid;2-phenyl-6-piperidin-4-ylpyridine;phenyl-(6-piperidin-4-yl-2-pyridinyl)methanone;6-piperidin-4-ylpyridin-2-amine;2-piperidin-4-ylpyridine
CID 161723322
[4-(6-Amino-3-pyridinyl)piperazin-1-yl]-(5-bromo-4-methoxy-2-pyridinyl)methanone;[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;phenylboronic acid
CID 161803865
tert-butyl 4-[3-[(6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[6-(5-methoxy-3-oxo-1H-isoindol-2-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 162085304

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate?
The IUPAC name of 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate (CID 162130635) is 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate?
The canonical SMILES for 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate is Cc1cc(N)c(C2CCOCC2)nc1Br.Cc1cc(N)c(C2CCOCC2)nc1C(N)=O.Cc1ccc(OC(=O)Nc2cc(C)cnc2C2CCOCC2)cc1.Cc1cnc(C2=CCOCC2)c(N)c1.Cc1cnc(C2CCOCC2)c(N)c1.[C-]#[N+]c1nc(C2CCOCC2)c(N)cc1C.
What is the InChIKey of 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate?
The InChIKey is ZIPPZNQMFGDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.C12H17N3O2.C12H15N3O.C11H15BrN2O.C11H16N2O.C11H14N2O/c1-13-3-5-16(6-4-13)24-19(22)21-17-11-14(2)12-20-18(17)15-7-9-23-10-8-15;1-7-6-9(13)11(15-10(7)12(14)16)8-2-4-17-5-3-8;1-8-7-10(13)11(15-12(8)14-2)9-3-5-16-6-4-9;1-7-6-9(13)10(14-11(7)12)8-2-4-15-5-3-8;2*1-8-6-10(12)11(13-7-8)9-2-4-14-5-3-9/h3-6,11-12,15H,7-10H2,1-2H3,(H,21,22);6,8H,2-5,13H2,1H3,(H2,14,16);7,9H,3-6,13H2,1H3;6,8H,2-5,13H2,1H3;6-7,9H,2-5,12H2,1H3;2,6-7H,3-5,12H2,1H3.
What are the key properties of 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate?
5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate has a molecular weight of 1432.62 g/mol, XLogP of 13.86, 9 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;6-bromo-5-methyl-2-(oxan-4-yl)pyridin-3-amine;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;6-isocyano-5-methyl-2-(oxan-4-yl)pyridin-3-amine;5-methyl-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 162130635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).