N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide

C21H21N3O2 — CID 75426702

IUPACN-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-16-5-7-17(8-6-16)14-24(15-18-4-3-10-22-13-18)21(26)19-9-11-23-20(25)12-19/h3-13H,2,14-15H2,1H3,(H,23,25)
InChIKeyFBKLHGBMNORVRM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide

N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide (PubChem CID 75426702) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
PubChem CID75426702
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2cc[nH]c(=O)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-2-16-5-7-17(8-6-16)14-24(15-18-4-3-10-22-13-18)21(26)19-9-11-23-20(25)12-19/h3-13H,2,14-15H2,1H3,(H,23,25)
InChIKeyFBKLHGBMNORVRM-UHFFFAOYSA-N
XLogP3.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
2-(difluoromethyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 56563721
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
CID 113257132
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-[(4-ethylphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135993476
N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 99146934
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide (CID 75426702) is N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide is CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc[nH]c(=O)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide?
The InChIKey is FBKLHGBMNORVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-16-5-7-17(8-6-16)14-24(15-18-4-3-10-22-13-18)21(26)19-9-11-23-20(25)12-19/h3-13H,2,14-15H2,1H3,(H,23,25).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 75426702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).