N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

C19H19ClN4O2 — CID 175644255

IUPACN-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c2)ncn3C2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-12-2-3-16(15(20)8-12)23-19(25)13-9-17-18(21-10-13)24(11-22-17)14-4-6-26-7-5-14/h2-3,8-11,14H,4-7H2,1H3,(H,23,25)
InChIKeyMBECIXKWBZFLSF-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.00
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175644255) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID175644255
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c2)ncn3C2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H19ClN4O2/c1-12-2-3-16(15(20)8-12)23-19(25)13-9-17-18(21-10-13)24(11-22-17)14-4-6-26-7-5-14/h2-3,8-11,14H,4-7H2,1H3,(H,23,25)
InChIKeyMBECIXKWBZFLSF-UHFFFAOYSA-N
XLogP4.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504000
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
3-cyclopropyl-N-[3-(2-methoxyethylcarbamoyl)-2-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501437
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
N-[2-(1H-imidazol-5-yl)ethyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501565
3-cyclopentyl-N-[4-[[2-(dimethylamino)acetyl]amino]-3-methylphenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175641054
furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
CID 176500253
N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
CID 50828397
N-(2-chloro-4-methoxyphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500025

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 175644255) is N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c2)ncn3C2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MBECIXKWBZFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-2-3-16(15(20)8-12)23-19(25)13-9-17-18(21-10-13)24(11-22-17)14-4-6-26-7-5-14/h2-3,8-11,14H,4-7H2,1H3,(H,23,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175644255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).