N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C17H18N6O — CID 75524263

IUPACN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3ccnc(NC4CC4)c3)cnc21
InChIInChI=1S/C17H18N6O/c1-23-10-21-14-7-12(9-19-16(14)23)17(24)20-8-11-4-5-18-15(6-11)22-13-2-3-13/h4-7,9-10,13H,2-3,8H2,1H3,(H,18,22)(H,20,24)
InChIKeyFFUPNQYENXESPQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.87
Rot. Bonds5

About N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 75524263) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID75524263
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3ccnc(NC4CC4)c3)cnc21
InChIInChI=1S/C17H18N6O/c1-23-10-21-14-7-12(9-19-16(14)23)17(24)20-8-11-4-5-18-15(6-11)22-13-2-3-13/h4-7,9-10,13H,2-3,8H2,1H3,(H,18,22)(H,20,24)
InChIKeyFFUPNQYENXESPQ-UHFFFAOYSA-N
XLogP1.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide
CID 75401467
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013002
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide
CID 155958448
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75499926
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175640437
tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
CID 75451047
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 97342015
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 75524263) is N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)NCc3ccnc(NC4CC4)c3)cnc21.
What is the InChIKey of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is FFUPNQYENXESPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-23-10-21-14-7-12(9-19-16(14)23)17(24)20-8-11-4-5-18-15(6-11)22-13-2-3-13/h4-7,9-10,13H,2-3,8H2,1H3,(H,18,22)(H,20,24).
What are the key properties of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75524263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).