N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

C10H16N2O — CID 110691119

IUPACN-(3-methylbutyl)-1H-pyrrole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc[nH]c1
InChIInChI=1S/C10H16N2O/c1-8(2)3-6-12-10(13)9-4-5-11-7-9/h4-5,7-8,11H,3,6H2,1-2H3,(H,12,13)
InChIKeyHDDPPTQTGFCTHS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds4

About N-(3-methylbutyl)-1H-pyrrole-3-carboxamide

N-(3-methylbutyl)-1H-pyrrole-3-carboxamide (PubChem CID 110691119) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(3-methylbutyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1H-pyrrole-3-carboxamide
PubChem CID110691119
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(3-methylbutyl)-1H-pyrrole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc[nH]c1
InChIInChI=1S/C10H16N2O/c1-8(2)3-6-12-10(13)9-4-5-11-7-9/h4-5,7-8,11H,3,6H2,1-2H3,(H,12,13)
InChIKeyHDDPPTQTGFCTHS-UHFFFAOYSA-N
XLogP1.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(3-methylbutyl)-1H-pyrrole-3-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-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110695748
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
CID 83617800
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1H-pyrrole-3-carboxamide (CID 110691119) is N-(3-methylbutyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1H-pyrrole-3-carboxamide is CC(C)CCNC(=O)c1cc[nH]c1.
What is the InChIKey of N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
The InChIKey is HDDPPTQTGFCTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(2)3-6-12-10(13)9-4-5-11-7-9/h4-5,7-8,11H,3,6H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methylbutyl)-1H-pyrrole-3-carboxamide?
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110691119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).