N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

C16H19N3O — CID 81245012

IUPACN-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cnccc1NC
InChIInChI=1S/C16H19N3O/c1-3-12-6-4-5-7-13(12)10-19-16(20)14-11-18-9-8-15(14)17-2/h4-9,11H,3,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOXBGYMDTVJNDFO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide

N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245012) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245012
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCCc1ccccc1CNC(=O)c1cnccc1NC
InChIInChI=1S/C16H19N3O/c1-3-12-6-4-5-7-13(12)10-19-16(20)14-11-18-9-8-15(14)17-2/h4-9,11H,3,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOXBGYMDTVJNDFO-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide (CID 81245012) is N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is CCc1ccccc1CNC(=O)c1cnccc1NC.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is OXBGYMDTVJNDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12-6-4-5-7-13(12)10-19-16(20)14-11-18-9-8-15(14)17-2/h4-9,11H,3,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide?
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).