N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

C16H19N3O2 — CID 82032029

IUPACN-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H19N3O2/c1-12-3-2-4-16(21)19(12)10-9-15(20)18-14-7-5-13(11-17)6-8-14/h2-8H,9-11,17H2,1H3,(H,18,20)
InChIKeyLMAYRYZAHDXHCZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.64
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide

N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (PubChem CID 82032029) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
PubChem CID82032029
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
SMILESCc1cccc(=O)n1CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H19N3O2/c1-12-3-2-4-16(21)19(12)10-9-15(20)18-14-7-5-13(11-17)6-8-14/h2-8H,9-11,17H2,1H3,(H,18,20)
InChIKeyLMAYRYZAHDXHCZ-UHFFFAOYSA-N
XLogP1.64
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
CID 82032013
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 75366166
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 126437741
N-(3-acetamidophenyl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
CID 71827760
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide (CID 82032029) is N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is Cc1cccc(=O)n1CCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
The InChIKey is LMAYRYZAHDXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-3-2-4-16(21)19(12)10-9-15(20)18-14-7-5-13(11-17)6-8-14/h2-8H,9-11,17H2,1H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82032029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).