4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide

C16H19N3O — CID 110460835

IUPAC4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1cccc(-c2ccncc2)c1
InChIInChI=1S/C16H19N3O/c17-8-2-5-16(20)19-12-13-3-1-4-15(11-13)14-6-9-18-10-7-14/h1,3-4,6-7,9-11H,2,5,8,12,17H2,(H,19,20)
InChIKeyBRVPAJHHAJFMGJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.10
Rot. Bonds6

About 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide

4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide (PubChem CID 110460835) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
PubChem CID110460835
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
SMILESNCCCC(=O)NCc1cccc(-c2ccncc2)c1
InChIInChI=1S/C16H19N3O/c17-8-2-5-16(20)19-12-13-3-1-4-15(11-13)14-6-9-18-10-7-14/h1,3-4,6-7,9-11H,2,5,8,12,17H2,(H,19,20)
InChIKeyBRVPAJHHAJFMGJ-UHFFFAOYSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide 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

4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408539
N-[(3-pyridin-4-ylphenyl)methyl]pyrazole-1-carboxamide
CID 118526786
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
N-[(3-phenylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72848910
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408497
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide (CID 110460835) is 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide is NCCCC(=O)NCc1cccc(-c2ccncc2)c1.
What is the InChIKey of 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide?
The InChIKey is BRVPAJHHAJFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-8-2-5-16(20)19-12-13-3-1-4-15(11-13)14-6-9-18-10-7-14/h1,3-4,6-7,9-11H,2,5,8,12,17H2,(H,19,20).
What are the key properties of 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide?
4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide has a molecular weight of 269.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 110460835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).