4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C16H19N3O2 — CID 3712359

IUPAC4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c1-11(2)6-15(20)13-7-14(18-10-13)16(21)19-9-12-4-3-5-17-8-12/h3-5,7-8,10-11,18H,6,9H2,1-2H3,(H,19,21)
InChIKeyAMPXCCLKQGEKEK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.57
Rot. Bonds6

About 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3712359) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3712359
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)CC(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c1-11(2)6-15(20)13-7-14(18-10-13)16(21)19-9-12-4-3-5-17-8-12/h3-5,7-8,10-11,18H,6,9H2,1-2H3,(H,19,21)
InChIKeyAMPXCCLKQGEKEK-UHFFFAOYSA-N
XLogP2.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-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-(2-ethylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3790675
4-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 35512035
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
7-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 110852008
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3712359) is 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is CC(C)CC(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is AMPXCCLKQGEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)6-15(20)13-7-14(18-10-13)16(21)19-9-12-4-3-5-17-8-12/h3-5,7-8,10-11,18H,6,9H2,1-2H3,(H,19,21).
What are the key properties of 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3712359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).