3-methyl-N-(4-pyridin-3-ylbutyl)butanamide

C14H22N2O — CID 110661269

IUPAC3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
SMILESCC(C)CC(=O)NCCCCc1cccnc1
InChIInChI=1S/C14H22N2O/c1-12(2)10-14(17)16-9-4-3-6-13-7-5-8-15-11-13/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,17)
InChIKeyKOYYZYCUTNJMQW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.57
Rot. Bonds7

About 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide

3-methyl-N-(4-pyridin-3-ylbutyl)butanamide (PubChem CID 110661269) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
PubChem CID110661269
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
SMILESCC(C)CC(=O)NCCCCc1cccnc1
InChIInChI=1S/C14H22N2O/c1-12(2)10-14(17)16-9-4-3-6-13-7-5-8-15-11-13/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,17)
InChIKeyKOYYZYCUTNJMQW-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
3-[3-[2-(3-methylbutanoylamino)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
CID 19711363
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
3-(5-methylhexyl)pyridine
CID 54316004
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
3-(14-methylpentadecyl)pyridine
CID 19697272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide?
The IUPAC name of 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide (CID 110661269) is 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide is CC(C)CC(=O)NCCCCc1cccnc1.
What is the InChIKey of 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide?
The InChIKey is KOYYZYCUTNJMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(2)10-14(17)16-9-4-3-6-13-7-5-8-15-11-13/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide?
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyridin-3-ylbutyl)butanamide is sourced from PubChem (CID 110661269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).