4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide

C12H19N3O — CID 107410962

IUPAC4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cc(N)c[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-8-2-3-9(4-8)6-15-12(16)11-5-10(13)7-14-11/h5,7-9,14H,2-4,6,13H2,1H3,(H,15,16)
InChIKeyPURHGSSQVUCQGC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds3

About 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 107410962) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID107410962
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cc(N)c[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-8-2-3-9(4-8)6-15-12(16)11-5-10(13)7-14-11/h5,7-9,14H,2-4,6,13H2,1H3,(H,15,16)
InChIKeyPURHGSSQVUCQGC-UHFFFAOYSA-N
XLogP1.76
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107413497
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64927605
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
(3-methylcyclopentyl)methylurea
CID 20542807
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide
CID 61210791
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide (CID 107410962) is 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide is CC1CCC(CNC(=O)c2cc(N)c[nH]2)C1.
What is the InChIKey of 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PURHGSSQVUCQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-2-3-9(4-8)6-15-12(16)11-5-10(13)7-14-11/h5,7-9,14H,2-4,6,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 107410962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).