4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide

C16H29N3O — CID 61108331

IUPAC4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H29N3O/c1-4-6-8-10-19(11-9-7-5-2)16(20)15-12-14(17)13-18(15)3/h12-13H,4-11,17H2,1-3H3
InChIKeyIWAJAZLFCZXDQY-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.43
Rot. Bonds9

About 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide

4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide (PubChem CID 61108331) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
PubChem CID61108331
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(N)cn1C
InChIInChI=1S/C16H29N3O/c1-4-6-8-10-19(11-9-7-5-2)16(20)15-12-14(17)13-18(15)3/h12-13H,4-11,17H2,1-3H3
InChIKeyIWAJAZLFCZXDQY-UHFFFAOYSA-N
XLogP3.43
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61105477
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
4-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63284940
4-amino-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 61106564
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
CID 43644054

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide (CID 61108331) is 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide is CCCCCN(CCCCC)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide?
The InChIKey is IWAJAZLFCZXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-6-8-10-19(11-9-7-5-2)16(20)15-12-14(17)13-18(15)3/h12-13H,4-11,17H2,1-3H3.
What are the key properties of 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide?
4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N,N-dipentylpyrrole-2-carboxamide is sourced from PubChem (CID 61108331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).