N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide

C9H13N3O — CID 130626722

IUPACN-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCC2CC2)c1
InChIInChI=1S/C9H13N3O/c1-12-5-8(11-6-12)9(13)10-4-7-2-3-7/h5-7H,2-4H2,1H3,(H,10,13)
InChIKeyPGYFZDDAFRMUQO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.56
Rot. Bonds3

About N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide

N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide (PubChem CID 130626722) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
PubChem CID130626722
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCC2CC2)c1
InChIInChI=1S/C9H13N3O/c1-12-5-8(11-6-12)9(13)10-4-7-2-3-7/h5-7H,2-4H2,1H3,(H,10,13)
InChIKeyPGYFZDDAFRMUQO-UHFFFAOYSA-N
XLogP0.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromocyclohexyl)methyl]-1-methylimidazole-4-carboxamide
CID 107975123
2-[[(1-methylimidazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107971526
1-methyl-N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]imidazole-4-carboxamide
CID 125172091
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
N-(2,2-diethoxyethyl)-1-methylimidazole-4-carboxamide
CID 107972296
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazole-4-carboxamide
CID 107975187
N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
CID 107973594
N-(2-amino-1-cyclopropylethyl)-1-methylimidazole-4-carboxamide
CID 107973326
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 91923835

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide (CID 130626722) is N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide?
The InChIKey is PGYFZDDAFRMUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-5-8(11-6-12)9(13)10-4-7-2-3-7/h5-7H,2-4H2,1H3,(H,10,13).
What are the key properties of N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide?
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 130626722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).