2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide

C14H22N4O2 — CID 119612147

IUPAC2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide
SMILESCn1cc(C(N)=O)cc1C(=O)NC1CCCCC1CN
InChIInChI=1S/C14H22N4O2/c1-18-8-10(13(16)19)6-12(18)14(20)17-11-5-3-2-4-9(11)7-15/h6,8-9,11H,2-5,7,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyLDENOGNMDANHIV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.37
Rot. Bonds4

About 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide

2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide (PubChem CID 119612147) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide
PubChem CID119612147
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide
SMILESCn1cc(C(N)=O)cc1C(=O)NC1CCCCC1CN
InChIInChI=1S/C14H22N4O2/c1-18-8-10(13(16)19)6-12(18)14(20)17-11-5-3-2-4-9(11)7-15/h6,8-9,11H,2-5,7,15H2,1H3,(H2,16,19)(H,17,20)
InChIKeyLDENOGNMDANHIV-UHFFFAOYSA-N
XLogP0.37
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119612146
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
CID 103774058
2-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrrole-2,4-dicarboxamide
CID 167763974
cis-methyl (1S,2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylate
CID 99599427
2-N-[2-(cycloheptylamino)ethyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119621202
N-[2-(hydroxymethyl)cyclopentyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 103774083
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide (CID 119612147) is 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide is Cn1cc(C(N)=O)cc1C(=O)NC1CCCCC1CN.
What is the InChIKey of 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide?
The InChIKey is LDENOGNMDANHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18-8-10(13(16)19)6-12(18)14(20)17-11-5-3-2-4-9(11)7-15/h6,8-9,11H,2-5,7,15H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide?
2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide is sourced from PubChem (CID 119612147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).