4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide

C12H19N3O — CID 43642104

IUPAC4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H19N3O/c1-8-2-4-10(5-3-8)15-12(16)11-6-9(13)7-14-11/h6-8,10,14H,2-5,13H2,1H3,(H,15,16)
InChIKeyMDGOOYCUCDUWAI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.91
Rot. Bonds2

About 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide

4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide (PubChem CID 43642104) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
PubChem CID43642104
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H19N3O/c1-8-2-4-10(5-3-8)15-12(16)11-6-9(13)7-14-11/h6-8,10,14H,2-5,13H2,1H3,(H,15,16)
InChIKeyMDGOOYCUCDUWAI-UHFFFAOYSA-N
XLogP1.91
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 61102372
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
CID 114122255
4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
CID 103062224
4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107410962
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388033
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide
CID 114118438
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide (CID 43642104) is 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide is CC1CCC(NC(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MDGOOYCUCDUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-2-4-10(5-3-8)15-12(16)11-6-9(13)7-14-11/h6-8,10,14H,2-5,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).