N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C15H16N2O — CID 4126174

IUPACN-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O/c1-11-5-7-13(8-6-11)12(2)17-15(18)14-4-3-9-16-10-14/h3-10,12H,1-2H3,(H,17,18)
InChIKeyWYKGFYKQTNUAHP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 4126174) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID4126174
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O/c1-11-5-7-13(8-6-11)12(2)17-15(18)14-4-3-9-16-10-14/h3-10,12H,1-2H3,(H,17,18)
InChIKeyWYKGFYKQTNUAHP-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]pyridine-3-carboxamide
CID 100629639
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 4126174) is N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is WYKGFYKQTNUAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-5-7-13(8-6-11)12(2)17-15(18)14-4-3-9-16-10-14/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 4126174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).