3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C20H23N5O — CID 176505473

IUPAC3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnc3c(c2)ncn3C2CCCC2)cn1
InChIInChI=1S/C20H23N5O/c1-13-7-14(2)21-10-16(13)11-23-20(26)15-8-18-19(22-9-15)25(12-24-18)17-5-3-4-6-17/h7-10,12,17H,3-6,11H2,1-2H3,(H,23,26)
InChIKeyYYCYXJQEUGLVRO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.49
Rot. Bonds4

About 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176505473) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176505473
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnc3c(c2)ncn3C2CCCC2)cn1
InChIInChI=1S/C20H23N5O/c1-13-7-14(2)21-10-16(13)11-23-20(26)15-8-18-19(22-9-15)25(12-24-18)17-5-3-4-6-17/h7-10,12,17H,3-6,11H2,1-2H3,(H,23,26)
InChIKeyYYCYXJQEUGLVRO-UHFFFAOYSA-N
XLogP3.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176505473) is 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is Cc1cc(C)c(CNC(=O)c2cnc3c(c2)ncn3C2CCCC2)cn1.
What is the InChIKey of 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YYCYXJQEUGLVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-7-14(2)21-10-16(13)11-23-20(26)15-8-18-19(22-9-15)25(12-24-18)17-5-3-4-6-17/h7-10,12,17H,3-6,11H2,1-2H3,(H,23,26).
What are the key properties of 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176505473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).