1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide

C14H23N3O — CID 79110293

IUPAC1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide
SMILESCNC1CCC(NC(=O)c2ccc(C)n2C)CC1
InChIInChI=1S/C14H23N3O/c1-10-4-9-13(17(10)3)14(18)16-12-7-5-11(15-2)6-8-12/h4,9,11-12,15H,5-8H2,1-3H3,(H,16,18)
InChIKeySKCFXTYAVOVQMW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.59
Rot. Bonds3

About 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide (PubChem CID 79110293) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide
PubChem CID79110293
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide
SMILESCNC1CCC(NC(=O)c2ccc(C)n2C)CC1
InChIInChI=1S/C14H23N3O/c1-10-4-9-13(17(10)3)14(18)16-12-7-5-11(15-2)6-8-12/h4,9,11-12,15H,5-8H2,1-3H3,(H,16,18)
InChIKeySKCFXTYAVOVQMW-UHFFFAOYSA-N
XLogP1.59
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617249
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide
CID 43594241
N-(2-aminocyclopentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63251565
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79749208
3-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 64672444

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide (CID 79110293) is 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide is CNC1CCC(NC(=O)c2ccc(C)n2C)CC1.
What is the InChIKey of 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide?
The InChIKey is SKCFXTYAVOVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-4-9-13(17(10)3)14(18)16-12-7-5-11(15-2)6-8-12/h4,9,11-12,15H,5-8H2,1-3H3,(H,16,18).
What are the key properties of 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide is sourced from PubChem (CID 79110293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).