N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

C19H22N6O3 — CID 178023775

IUPACN-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1c(/C=C/C[C@H](C)NC(=O)c2nc3ncccc3[nH]2)cnc(N)c1OC
InChIInChI=1S/C19H22N6O3/c1-11(23-19(26)18-24-13-8-5-9-21-17(13)25-18)6-4-7-12-10-22-16(20)15(28-3)14(12)27-2/h4-5,7-11H,6H2,1-3H3,(H2,20,22)(H,23,26)(H,21,24,25)/b7-4+/t11-/m0/s1
InChIKeyTYELYYSBGUGRLW-ZPMKCOPCSA-N
MW382.42 g/mol
LogP2.17
Rot. Bonds7

About N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 178023775) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID178023775
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1c(/C=C/C[C@H](C)NC(=O)c2nc3ncccc3[nH]2)cnc(N)c1OC
InChIInChI=1S/C19H22N6O3/c1-11(23-19(26)18-24-13-8-5-9-21-17(13)25-18)6-4-7-12-10-22-16(20)15(28-3)14(12)27-2/h4-5,7-11H,6H2,1-3H3,(H2,20,22)(H,23,26)(H,21,24,25)/b7-4+/t11-/m0/s1
InChIKeyTYELYYSBGUGRLW-ZPMKCOPCSA-N
XLogP2.17
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(E,2S)-5-(6-amino-4-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024052
N-[(E,2S)-5-(4-amino-6-methoxypyrimidin-5-yl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024438
N-[(E,2S)-5-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023743
N-[(E,2S)-5-(6-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023979
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-4-chloro-1H-benzimidazole-2-carboxamide
CID 178023812
N-[(E,2S)-5-(6-amino-5-chloro-3-pyridinyl)pent-4-en-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023761
N-[(E,2S)-5-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178024274
tert-butyl N-[(E,2S)-5-(6-amino-4-chloro-5-methoxy-3-pyridinyl)pent-4-en-2-yl]carbamate
CID 178024399
N-[4-(1-aminoisoquinolin-4-yl)but-3-ynyl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178023481
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
N-[(2S)-5-(6-amino-5-fluoro-3-pyridinyl)pentan-2-yl]-6-fluoro-1H-imidazo[4,5-b]pyridine-2-carboxamide
CID 178024535

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 178023775) is N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is COc1c(/C=C/C[C@H](C)NC(=O)c2nc3ncccc3[nH]2)cnc(N)c1OC.
What is the InChIKey of N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is TYELYYSBGUGRLW-ZPMKCOPCSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11(23-19(26)18-24-13-8-5-9-21-17(13)25-18)6-4-7-12-10-22-16(20)15(28-3)14(12)27-2/h4-5,7-11H,6H2,1-3H3,(H2,20,22)(H,23,26)(H,21,24,25)/b7-4+/t11-/m0/s1.
What are the key properties of N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-5-(6-amino-4,5-dimethoxy-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 178023775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).