2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide

C66H56N18O8 — CID 160741702

IUPAC2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide
SMILESCc1ncccc1C(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)c1cc2c3ccccc3n(C(=O)c3ccccc3)c2nc1N.NC(=O)c1cc2c3ccccc3n(CCO)c2nc1N
InChIInChI=1S/C19H15N5O2.C19H14N4O2.C14H13N5O2.C14H14N4O2/c1-10-11(6-4-8-22-10)19(26)24-15-7-3-2-5-12(15)13-9-14(17(21)25)16(20)23-18(13)24;20-16-14(17(21)24)10-13-12-8-4-5-9-15(12)23(18(13)22-16)19(25)11-6-2-1-3-7-11;15-11(20)6-19-10-4-2-1-3-7(10)8-5-9(13(17)21)12(16)18-14(8)19;15-12-10(13(16)20)7-9-8-3-1-2-4-11(8)18(5-6-19)14(9)17-12/h2-9H,1H3,(H2,20,23)(H2,21,25);1-10H,(H2,20,22)(H2,21,24);1-5H,6H2,(H2,15,20)(H2,16,18)(H2,17,21);1-4,7,19H,5-6H2,(H2,15,17)(H2,16,20)
InChIKeyRVRDKEFKAQECJD-UHFFFAOYSA-N
MW1229.29 g/mol
LogP6.04
Rot. Bonds10

About 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide

2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 160741702) has the molecular formula C66H56N18O8 and a molecular weight of 1229.29 g/mol. Its IUPAC name is 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide
PubChem CID160741702
Molecular FormulaC66H56N18O8
Molecular Weight1229.29 g/mol
Exact Mass1228.45
IUPAC Name2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide
SMILESCc1ncccc1C(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)c1cc2c3ccccc3n(C(=O)c3ccccc3)c2nc1N.NC(=O)c1cc2c3ccccc3n(CCO)c2nc1N
InChIInChI=1S/C19H15N5O2.C19H14N4O2.C14H13N5O2.C14H14N4O2/c1-10-11(6-4-8-22-10)19(26)24-15-7-3-2-5-12(15)13-9-14(17(21)25)16(20)23-18(13)24;20-16-14(17(21)24)10-13-12-8-4-5-9-15(12)23(18(13)22-16)19(25)11-6-2-1-3-7-11;15-11(20)6-19-10-4-2-1-3-7(10)8-5-9(13(17)21)12(16)18-14(8)19;15-12-10(13(16)20)7-9-8-3-1-2-4-11(8)18(5-6-19)14(9)17-12/h2-9H,1H3,(H2,20,23)(H2,21,25);1-10H,(H2,20,22)(H2,21,24);1-5H,6H2,(H2,15,20)(H2,16,18)(H2,17,21);1-4,7,19H,5-6H2,(H2,15,17)(H2,16,20)
InChIKeyRVRDKEFKAQECJD-UHFFFAOYSA-N
XLogP6.04
TPSA458.07 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001229.29
LogP ≤ 56.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide with MolForge

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Related Compounds

2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900611
2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid
CID 66676514
2-amino-9-(2-piperidin-1-ylethyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530155
2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530164
1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
CID 66676403
2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900804
tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
CID 24900747
9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
CID 71173807
carbazole-1,9-dicarboxamide
CID 141418559
9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
CID 89341066
2-amino-9-(2-amino-2-iminoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxy-2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpropyl)pyrido[2,3-b]indole-3-carboxamide;9-[(2S)-2-aminopropyl]-2-(methylamino)pyrido[2,3-b]indole-3-carboxamide
CID 159041018
2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate
CID 159286694

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide (CID 160741702) is 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide is Cc1ncccc1C(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)c1cc2c3ccccc3n(C(=O)c3ccccc3)c2nc1N.NC(=O)c1cc2c3ccccc3n(CCO)c2nc1N.
What is the InChIKey of 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is RVRDKEFKAQECJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2.C19H14N4O2.C14H13N5O2.C14H14N4O2/c1-10-11(6-4-8-22-10)19(26)24-15-7-3-2-5-12(15)13-9-14(17(21)25)16(20)23-18(13)24;20-16-14(17(21)24)10-13-12-8-4-5-9-15(12)23(18(13)22-16)19(25)11-6-2-1-3-7-11;15-11(20)6-19-10-4-2-1-3-7(10)8-5-9(13(17)21)12(16)18-14(8)19;15-12-10(13(16)20)7-9-8-3-1-2-4-11(8)18(5-6-19)14(9)17-12/h2-9H,1H3,(H2,20,23)(H2,21,25);1-10H,(H2,20,22)(H2,21,24);1-5H,6H2,(H2,15,20)(H2,16,18)(H2,17,21);1-4,7,19H,5-6H2,(H2,15,17)(H2,16,20).
What are the key properties of 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide?
2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 1229.29 g/mol, XLogP of 6.04, 10 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 160741702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).