3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide

C23H28N6O2 — CID 175641054

IUPAC3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(c2)ncn3C2CCCC2)ccc1NC(=O)CN(C)C
InChIInChI=1S/C23H28N6O2/c1-15-10-17(8-9-19(15)27-21(30)13-28(2)3)26-23(31)16-11-20-22(24-12-16)29(14-25-20)18-6-4-5-7-18/h8-12,14,18H,4-7,13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyHFNRTKMXHGJBSY-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.61
Rot. Bonds6

About 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175641054) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID175641054
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(c2)ncn3C2CCCC2)ccc1NC(=O)CN(C)C
InChIInChI=1S/C23H28N6O2/c1-15-10-17(8-9-19(15)27-21(30)13-28(2)3)26-23(31)16-11-20-22(24-12-16)29(14-25-20)18-6-4-5-7-18/h8-12,14,18H,4-7,13H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyHFNRTKMXHGJBSY-UHFFFAOYSA-N
XLogP3.61
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216
N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]-4-piperidin-1-ylbenzamide
CID 131927952
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473
N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644255
3-(oxan-4-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504449
N-(3-cyano-4-fluorophenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175643763
3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501437
3-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176504133
3-cyclopentyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506597
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide
CID 131924701
3-cyclopentyl-N-[1-(2-methoxyphenoxy)propan-2-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504062
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 176500830

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 175641054) is 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide is Cc1cc(NC(=O)c2cnc3c(c2)ncn3C2CCCC2)ccc1NC(=O)CN(C)C.
What is the InChIKey of 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is HFNRTKMXHGJBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-10-17(8-9-19(15)27-21(30)13-28(2)3)26-23(31)16-11-20-22(24-12-16)29(14-25-20)18-6-4-5-7-18/h8-12,14,18H,4-7,13H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175641054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).