N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide

C16H19N3O — CID 113026477

IUPACN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ccccc2C)cn1
InChIInChI=1S/C16H19N3O/c1-3-16(20)19-15-9-8-14(11-18-15)17-10-13-7-5-4-6-12(13)2/h4-9,11,17H,3,10H2,1-2H3,(H,18,19,20)
InChIKeyJKCAYAVWWXIKHM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.35
Rot. Bonds5

About N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide (PubChem CID 113026477) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
PubChem CID113026477
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(NCc2ccccc2C)cn1
InChIInChI=1S/C16H19N3O/c1-3-16(20)19-15-9-8-14(11-18-15)17-10-13-7-5-4-6-12(13)2/h4-9,11,17H,3,10H2,1-2H3,(H,18,19,20)
InChIKeyJKCAYAVWWXIKHM-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
2-(2-methylphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026630
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815
N-[5-(cyclopropylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023745

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide (CID 113026477) is N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(NCc2ccccc2C)cn1.
What is the InChIKey of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide?
The InChIKey is JKCAYAVWWXIKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-16(20)19-15-9-8-14(11-18-15)17-10-13-7-5-4-6-12(13)2/h4-9,11,17H,3,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide?
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide has a molecular weight of 269.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide is sourced from PubChem (CID 113026477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).