1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide

C16H21N3O — CID 53159749

IUPAC1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccncc2)cn1C
InChIInChI=1S/C16H21N3O/c1-12(2)4-9-18-16(20)15-10-14(11-19(15)3)13-5-7-17-8-6-13/h5-8,10-12H,4,9H2,1-3H3,(H,18,20)
InChIKeyFFCSIVBCBFISES-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds5

About 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide

1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159749) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159749
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccncc2)cn1C
InChIInChI=1S/C16H21N3O/c1-12(2)4-9-18-16(20)15-10-14(11-19(15)3)13-5-7-17-8-6-13/h5-8,10-12H,4,9H2,1-3H3,(H,18,20)
InChIKeyFFCSIVBCBFISES-UHFFFAOYSA-N
XLogP2.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-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

N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841032
1-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71819739
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731
4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 54943729
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159749) is 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccncc2)cn1C.
What is the InChIKey of 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is FFCSIVBCBFISES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)4-9-18-16(20)15-10-14(11-19(15)3)13-5-7-17-8-6-13/h5-8,10-12H,4,9H2,1-3H3,(H,18,20).
What are the key properties of 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbutyl)-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).