N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide

C14H23N3O — CID 81486896

IUPACN-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
SMILESCC(C)CC(CN)NC(=O)CCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-11(2)8-13(9-15)17-14(18)6-5-12-4-3-7-16-10-12/h3-4,7,10-11,13H,5-6,8-9,15H2,1-2H3,(H,17,18)
InChIKeyDGVXMRIOGCFAIH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.50
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide

N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide (PubChem CID 81486896) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
PubChem CID81486896
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
SMILESCC(C)CC(CN)NC(=O)CCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-11(2)8-13(9-15)17-14(18)6-5-12-4-3-7-16-10-12/h3-4,7,10-11,13H,5-6,8-9,15H2,1-2H3,(H,17,18)
InChIKeyDGVXMRIOGCFAIH-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N-(1-amino-4-methylpentan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 119587844
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
N-(1-amino-4-methylpentan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide
CID 119586699
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119587934
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
CID 119585666

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide (CID 81486896) is N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide is CC(C)CC(CN)NC(=O)CCc1cccnc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is DGVXMRIOGCFAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)8-13(9-15)17-14(18)6-5-12-4-3-7-16-10-12/h3-4,7,10-11,13H,5-6,8-9,15H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide?
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 81486896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).