N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide

C17H21N3O — CID 113011745

IUPACN-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCc2ccc(C)cc2)nc1
InChIInChI=1S/C17H21N3O/c1-3-4-17(21)20-15-9-10-16(19-12-15)18-11-14-7-5-13(2)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIDALLGZQOMPWEP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.74
Rot. Bonds6

About N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide

N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide (PubChem CID 113011745) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
PubChem CID113011745
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCc2ccc(C)cc2)nc1
InChIInChI=1S/C17H21N3O/c1-3-4-17(21)20-15-9-10-16(19-12-15)18-11-14-7-5-13(2)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIDALLGZQOMPWEP-UHFFFAOYSA-N
XLogP3.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012649
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide?
The IUPAC name of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide (CID 113011745) is N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NCc2ccc(C)cc2)nc1.
What is the InChIKey of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide?
The InChIKey is IDALLGZQOMPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-4-17(21)20-15-9-10-16(19-12-15)18-11-14-7-5-13(2)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide?
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide has a molecular weight of 283.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide is sourced from PubChem (CID 113011745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).