4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide

C14H24N4O — CID 61114401

IUPAC4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CCN(C(=O)c1cc(N)c[nH]1)C1CCCC1
InChIInChI=1S/C14H24N4O/c1-17(2)7-8-18(12-5-3-4-6-12)14(19)13-9-11(15)10-16-13/h9-10,12,16H,3-8,15H2,1-2H3
InChIKeyDUECKHPNFCGBTQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide

4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 61114401) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID61114401
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CCN(C(=O)c1cc(N)c[nH]1)C1CCCC1
InChIInChI=1S/C14H24N4O/c1-17(2)7-8-18(12-5-3-4-6-12)14(19)13-9-11(15)10-16-13/h9-10,12,16H,3-8,15H2,1-2H3
InChIKeyDUECKHPNFCGBTQ-UHFFFAOYSA-N
XLogP1.54
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide
CID 43642543
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-methylthiophene-2-carboxamide
CID 61114783
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 61107798
4-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60955759
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63102876
4-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 54942689
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-6-methylbenzamide
CID 61114023

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide (CID 61114401) is 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide is CN(C)CCN(C(=O)c1cc(N)c[nH]1)C1CCCC1.
What is the InChIKey of 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DUECKHPNFCGBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17(2)7-8-18(12-5-3-4-6-12)14(19)13-9-11(15)10-16-13/h9-10,12,16H,3-8,15H2,1-2H3.
What are the key properties of 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide?
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61114401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).