1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide

C14H18N4O — CID 114609917

IUPAC1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H18N4O/c1-17(10-13-15-7-8-16-13)14(19)12-6-3-9-18(12)11-4-2-5-11/h3,6-9,11H,2,4-5,10H2,1H3,(H,15,16)
InChIKeyYKQVWACRUAXCJF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.21
Rot. Bonds4

About 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide

1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide (PubChem CID 114609917) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
PubChem CID114609917
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H18N4O/c1-17(10-13-15-7-8-16-13)14(19)12-6-3-9-18(12)11-4-2-5-11/h3,6-9,11H,2,4-5,10H2,1H3,(H,15,16)
InChIKeyYKQVWACRUAXCJF-UHFFFAOYSA-N
XLogP2.21
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64512089
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide (CID 114609917) is 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
The InChIKey is YKQVWACRUAXCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(10-13-15-7-8-16-13)14(19)12-6-3-9-18(12)11-4-2-5-11/h3,6-9,11H,2,4-5,10H2,1H3,(H,15,16).
What are the key properties of 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide?
1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114609917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).