N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C23H23N5O2 — CID 176507008

IUPACN-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-2-19(15-29)27(14-18-8-6-7-11-24-18)23(30)17-12-21-22(25-13-17)28(16-26-21)20-9-4-3-5-10-20/h3-13,16,19,29H,2,14-15H2,1H3
InChIKeyMXXNIZSZNCSOJW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176507008) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176507008
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-2-19(15-29)27(14-18-8-6-7-11-24-18)23(30)17-12-21-22(25-13-17)28(16-26-21)20-9-4-3-5-10-20/h3-13,16,19,29H,2,14-15H2,1H3
InChIKeyMXXNIZSZNCSOJW-UHFFFAOYSA-N
XLogP3.23
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503298
3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 95132846
N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 50948881
N'-[(2R)-1-hydroxybutan-2-yl]-N-(4-methylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 95120471
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 175641659
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506711
N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503359
(3-phenylimidazo[4,5-b]pyridin-6-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 176504802
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504391
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176507008) is N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is CCC(CO)N(Cc1ccccn1)C(=O)c1cnc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MXXNIZSZNCSOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-2-19(15-29)27(14-18-8-6-7-11-24-18)23(30)17-12-21-22(25-13-17)28(16-26-21)20-9-4-3-5-10-20/h3-13,16,19,29H,2,14-15H2,1H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176507008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).