N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide

C17H20N2O — CID 110647997

IUPACN-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
SMILESCc1ccc(CNC(=O)CC(C)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-5-7-15(8-6-13)11-19-17(20)10-14(2)16-4-3-9-18-12-16/h3-9,12,14H,10-11H2,1-2H3,(H,19,20)
InChIKeyLAOXSPCBKBSMSY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.20
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide

N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide (PubChem CID 110647997) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
PubChem CID110647997
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
SMILESCc1ccc(CNC(=O)CC(C)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-13-5-7-15(8-6-13)11-19-17(20)10-14(2)16-4-3-9-18-12-16/h3-9,12,14H,10-11H2,1-2H3,(H,19,20)
InChIKeyLAOXSPCBKBSMSY-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide 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

N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531
N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 26843439
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide (CID 110647997) is N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide is Cc1ccc(CNC(=O)CC(C)c2cccnc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide?
The InChIKey is LAOXSPCBKBSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-5-7-15(8-6-13)11-19-17(20)10-14(2)16-4-3-9-18-12-16/h3-9,12,14H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide?
N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110647997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).