2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C18H20ClN5O — CID 70764404

IUPAC2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C18H20ClN5O/c1-23(2)9-8-20-18(25)12-10-15-17(21-11-12)24(3)16(22-15)13-6-4-5-7-14(13)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)
InChIKeyCXTWCNSLHHLHMF-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70764404) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70764404
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C18H20ClN5O/c1-23(2)9-8-20-18(25)12-10-15-17(21-11-12)24(3)16(22-15)13-6-4-5-7-14(13)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)
InChIKeyCXTWCNSLHHLHMF-UHFFFAOYSA-N
XLogP2.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 70764404) is 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is CN(C)CCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is CXTWCNSLHHLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-23(2)9-8-20-18(25)12-10-15-17(21-11-12)24(3)16(22-15)13-6-4-5-7-14(13)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,25).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70764404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).