2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

C19H15ClN6O — CID 171495483

IUPAC2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CCl)cc1
InChIInChI=1S/C19H15ClN6O/c20-9-11-3-5-13(6-4-11)26-18(14-2-1-7-23-16(14)21)25-15-8-12(17(22)27)10-24-19(15)26/h1-8,10H,9H2,(H2,21,23)(H2,22,27)
InChIKeyYJURVNZEPLYTOG-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.90
Rot. Bonds4

About 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide

2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 171495483) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID171495483
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CCl)cc1
InChIInChI=1S/C19H15ClN6O/c20-9-11-3-5-13(6-4-11)26-18(14-2-1-7-23-16(14)21)25-15-8-12(17(22)27)10-24-19(15)26/h1-8,10H,9H2,(H2,21,23)(H2,22,27)
InChIKeyYJURVNZEPLYTOG-UHFFFAOYSA-N
XLogP2.90
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[9-[4-(chloromethyl)phenyl]purin-8-yl]pyridin-2-amine
CID 171495281
[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl acetate
CID 171495972
[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171069078
3-[3-[4-(chloromethyl)phenyl]-5-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171493895
3-[3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyrazin-2-yl]pyridin-2-amine
CID 171493911
3-[3-[4-(aminomethyl)phenyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
CID 67304551
N-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58345275
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]-N-(trideuteriomethyl)imidazo[4,5-b]pyridin-5-amine
CID 171599395
8-(2-amino-3-pyridinyl)-9-[4-(chloromethyl)phenyl]-1H-purin-6-one
CID 171495354
methyl 3-[[4-[2-(2-amino-3-pyridinyl)-6-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methylcarbamoyl]benzoate
CID 58345192

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 171495483) is 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is NC(=O)c1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CCl)cc1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YJURVNZEPLYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-9-11-3-5-13(6-4-11)26-18(14-2-1-7-23-16(14)21)25-15-8-12(17(22)27)10-24-19(15)26/h1-8,10H,9H2,(H2,21,23)(H2,22,27).
What are the key properties of 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-3-[4-(chloromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 171495483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).