N-(2-methylpropyl)-3-pyridin-3-ylbutanamide

C13H20N2O — CID 110647374

IUPACN-(2-methylpropyl)-3-pyridin-3-ylbutanamide
SMILESCC(C)CNC(=O)CC(C)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-10(2)8-15-13(16)7-11(3)12-5-4-6-14-9-12/h4-6,9-11H,7-8H2,1-3H3,(H,15,16)
InChIKeyBZHCAXWIFAXHMB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.35
Rot. Bonds5

About N-(2-methylpropyl)-3-pyridin-3-ylbutanamide

N-(2-methylpropyl)-3-pyridin-3-ylbutanamide (PubChem CID 110647374) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-pyridin-3-ylbutanamide
PubChem CID110647374
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-methylpropyl)-3-pyridin-3-ylbutanamide
SMILESCC(C)CNC(=O)CC(C)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-10(2)8-15-13(16)7-11(3)12-5-4-6-14-9-12/h4-6,9-11H,7-8H2,1-3H3,(H,15,16)
InChIKeyBZHCAXWIFAXHMB-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 71860186
N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
CID 110650746
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
CID 110651095
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
N-[(1R,2R)-2-(3-pyridin-3-ylbutanoylamino)cyclohexyl]benzamide
CID 154806489
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-pyridin-3-ylbutanamide?
The IUPAC name of N-(2-methylpropyl)-3-pyridin-3-ylbutanamide (CID 110647374) is N-(2-methylpropyl)-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-pyridin-3-ylbutanamide?
The canonical SMILES for N-(2-methylpropyl)-3-pyridin-3-ylbutanamide is CC(C)CNC(=O)CC(C)c1cccnc1.
What is the InChIKey of N-(2-methylpropyl)-3-pyridin-3-ylbutanamide?
The InChIKey is BZHCAXWIFAXHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)8-15-13(16)7-11(3)12-5-4-6-14-9-12/h4-6,9-11H,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-3-pyridin-3-ylbutanamide?
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110647374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).