N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide

C14H17N5O — CID 75401467

IUPACN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCc1ccnc(NC2CC2)c1
InChIInChI=1S/C14H17N5O/c1-19-7-6-16-13(19)14(20)17-9-10-4-5-15-12(8-10)18-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,15,18)(H,17,20)
InChIKeyZBHNXLDMKVCYQF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.32
Rot. Bonds5

About N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide

N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide (PubChem CID 75401467) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide
PubChem CID75401467
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCc1ccnc(NC2CC2)c1
InChIInChI=1S/C14H17N5O/c1-19-7-6-16-13(19)14(20)17-9-10-4-5-15-12(8-10)18-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,15,18)(H,17,20)
InChIKeyZBHNXLDMKVCYQF-UHFFFAOYSA-N
XLogP1.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-5-methyl-2,5-diazabicyclo[4.1.0]heptane-2-carboxamide
CID 155958448
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622
N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
CID 101260235
1-methyl-N-propylimidazole-2-carboxamide
CID 12006368
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
6-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109339048
1-methyl-N-[(7-oxoazepan-2-yl)methyl]imidazole-2-carboxamide
CID 110196431
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55841812
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide (CID 75401467) is N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)NCc1ccnc(NC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide?
The InChIKey is ZBHNXLDMKVCYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-7-6-16-13(19)14(20)17-9-10-4-5-15-12(8-10)18-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,15,18)(H,17,20).
What are the key properties of N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide?
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 75401467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).