N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide

C14H23N3O — CID 43112506

IUPACN-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NCc1ccccn1
InChIInChI=1S/C14H23N3O/c1-4-7-11(2)17-14(18)12(3)16-10-13-8-5-6-9-15-13/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyYBBSBUSJQIDQIF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.86
Rot. Bonds7

About N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide

N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide (PubChem CID 43112506) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
PubChem CID43112506
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NCc1ccccn1
InChIInChI=1S/C14H23N3O/c1-4-7-11(2)17-14(18)12(3)16-10-13-8-5-6-9-15-13/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyYBBSBUSJQIDQIF-UHFFFAOYSA-N
XLogP1.86
TPSA54.02 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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide 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

zinc;bis((2S)-2-(pyridin-2-ylmethylamino)propanoate);hydrate
CID 139144713
N-(furan-2-ylmethyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 43084599
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
3-methyl-2-(pyridin-2-ylmethylamino)butanamide
CID 67707485
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
2-[(pentan-2-ylamino)methyl]pyridine-4-carboxylic acid
CID 107886544
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-pentan-2-ylpropanamide
CID 106370877

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide (CID 43112506) is N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide is CCCC(C)NC(=O)C(C)NCc1ccccn1.
What is the InChIKey of N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is YBBSBUSJQIDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-11(2)17-14(18)12(3)16-10-13-8-5-6-9-15-13/h5-6,8-9,11-12,16H,4,7,10H2,1-3H3,(H,17,18).
What are the key properties of N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide?
N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 43112506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).