N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide

C14H21N3O2 — CID 6498671

IUPACN-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
SMILESCCCC(=O)NCCCNC(=O)c1ccc(C)nc1
InChIInChI=1S/C14H21N3O2/c1-3-5-13(18)15-8-4-9-16-14(19)12-7-6-11(2)17-10-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLOGJQMWRJOHASI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds7

About N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide

N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498671) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498671
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
SMILESCCCC(=O)NCCCNC(=O)c1ccc(C)nc1
InChIInChI=1S/C14H21N3O2/c1-3-5-13(18)15-8-4-9-16-14(19)12-7-6-11(2)17-10-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLOGJQMWRJOHASI-UHFFFAOYSA-N
XLogP1.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide (CID 6498671) is N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide is CCCC(=O)NCCCNC(=O)c1ccc(C)nc1.
What is the InChIKey of N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LOGJQMWRJOHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-5-13(18)15-8-4-9-16-14(19)12-7-6-11(2)17-10-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide?
N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).