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

C18H16N6O — CID 178023743

IUPACN-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](C/C=C/c1cncc(C#N)c1)NC(=O)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H16N6O/c1-12(4-2-5-13-8-14(9-19)11-20-10-13)22-18(25)17-23-15-6-3-7-21-16(15)24-17/h2-3,5-8,10-12H,4H2,1H3,(H,22,25)(H,21,23,24)/b5-2+/t12-/m0/s1
InChIKeySVRMZZLCZIINAN-PWFBRDGFSA-N
MW332.37 g/mol
LogP2.45
Rot. Bonds5

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

N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 178023743) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID178023743
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESC[C@@H](C/C=C/c1cncc(C#N)c1)NC(=O)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H16N6O/c1-12(4-2-5-13-8-14(9-19)11-20-10-13)22-18(25)17-23-15-6-3-7-21-16(15)24-17/h2-3,5-8,10-12H,4H2,1H3,(H,22,25)(H,21,23,24)/b5-2+/t12-/m0/s1
InChIKeySVRMZZLCZIINAN-PWFBRDGFSA-N
XLogP2.45
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(5-amino-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178024274
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
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-(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-(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-(2-amino-5-fluoro-3-pyridinyl)pent-4-en-2-yl]-1H-benzimidazole-2-carboxamide
CID 178023692
4-(5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483214
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
methyl 3-(5-cyano-3-pyridinyl)prop-2-enoate
CID 169478735
N-ethyl-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-2-amine
CID 62827619

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 178023743) is N-[(E,2S)-5-(5-cyano-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-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is C[C@@H](C/C=C/c1cncc(C#N)c1)NC(=O)c1nc2ncccc2[nH]1.
What is the InChIKey of N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is SVRMZZLCZIINAN-PWFBRDGFSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12(4-2-5-13-8-14(9-19)11-20-10-13)22-18(25)17-23-15-6-3-7-21-16(15)24-17/h2-3,5-8,10-12H,4H2,1H3,(H,22,25)(H,21,23,24)/b5-2+/t12-/m0/s1.
What are the key properties of N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-5-(5-cyano-3-pyridinyl)pent-4-en-2-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 178023743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).