N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

C14H18N4O — CID 122572248

IUPACN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C14H18N4O/c1-9-11(5-6-15-9)14(19)17-12(10-3-4-10)13-16-7-8-18(13)2/h5-8,10,12,15H,3-4H2,1-2H3,(H,17,19)
InChIKeyJASMBXLGZYNILY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds4

About N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 122572248) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID122572248
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC(c1nccn1C)C1CC1
InChIInChI=1S/C14H18N4O/c1-9-11(5-6-15-9)14(19)17-12(10-3-4-10)13-16-7-8-18(13)2/h5-8,10,12,15H,3-4H2,1-2H3,(H,17,19)
InChIKeyJASMBXLGZYNILY-UHFFFAOYSA-N
XLogP1.94
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97251106
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 124754507
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 92635227
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172674256
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 122572248) is N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NC(c1nccn1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is JASMBXLGZYNILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-11(5-6-15-9)14(19)17-12(10-3-4-10)13-16-7-8-18(13)2/h5-8,10,12,15H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 122572248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).