4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide

C14H23N3O2 — CID 119665953

IUPAC4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(C(C)=O)cn1C
InChIInChI=1S/C14H23N3O2/c1-4-5-6-12(8-15)16-14(19)13-7-11(10(2)18)9-17(13)3/h7,9,12H,4-6,8,15H2,1-3H3,(H,16,19)
InChIKeyDYDUVWBMGURQTD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds7

About 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide

4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 119665953) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID119665953
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(C(C)=O)cn1C
InChIInChI=1S/C14H23N3O2/c1-4-5-6-12(8-15)16-14(19)13-7-11(10(2)18)9-17(13)3/h7,9,12H,4-6,8,15H2,1-3H3,(H,16,19)
InChIKeyDYDUVWBMGURQTD-UHFFFAOYSA-N
XLogP1.48
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-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

(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pentanoic acid
CID 93252336
N-(1-aminohexan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119261378
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide
CID 119589885
methyl (2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 47337732
2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243298
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153771
N-(1-aminohexan-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 80696485
2-[[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218762
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide (CID 119665953) is 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide is CCCCC(CN)NC(=O)c1cc(C(C)=O)cn1C.
What is the InChIKey of 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is DYDUVWBMGURQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-6-12(8-15)16-14(19)13-7-11(10(2)18)9-17(13)3/h7,9,12H,4-6,8,15H2,1-3H3,(H,16,19).
What are the key properties of 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide?
4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-aminohexan-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 119665953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).