2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide

C20H19N3O2 — CID 166383798

IUPAC2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1c[nH]c(=O)c(NC(=O)c2ccccc2-c2ccc(CN)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-13-10-18(20(25)22-12-13)23-19(24)17-5-3-2-4-16(17)15-8-6-14(11-21)7-9-15/h2-10,12H,11,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyLRGZHGRLONMFBJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide

2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 166383798) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide
PubChem CID166383798
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide
SMILESCc1c[nH]c(=O)c(NC(=O)c2ccccc2-c2ccc(CN)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-13-10-18(20(25)22-12-13)23-19(24)17-5-3-2-4-16(17)15-8-6-14(11-21)7-9-15/h2-10,12H,11,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyLRGZHGRLONMFBJ-UHFFFAOYSA-N
XLogP3.06
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 160614519
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
2-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 84559810
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
CID 141290737
N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide (CID 166383798) is 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide is Cc1c[nH]c(=O)c(NC(=O)c2ccccc2-c2ccc(CN)cc2)c1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is LRGZHGRLONMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-10-18(20(25)22-12-13)23-19(24)17-5-3-2-4-16(17)15-8-6-14(11-21)7-9-15/h2-10,12H,11,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide?
2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(5-methyl-2-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 166383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).