N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide

C16H18N2O — CID 18338468

IUPACN-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1CCc1cccc(C)c1
InChIInChI=1S/C16H18N2O/c1-12-5-3-6-13(11-12)8-9-14-7-4-10-18-15(14)16(19)17-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyNRFVCLYOXQKOIN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide

N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 18338468) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID18338468
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1CCc1cccc(C)c1
InChIInChI=1S/C16H18N2O/c1-12-5-3-6-13(11-12)8-9-14-7-4-10-18-15(14)16(19)17-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)
InChIKeyNRFVCLYOXQKOIN-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carboxamide;N-tert-butyl-3-methylpyridine-2-carboxamide
CID 159745684
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one;3-[2-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide;hydrobromide
CID 159619713
N-tert-butyl-3-(2-phenylethyl)pyridine-2-carboxamide
CID 14716816
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
3-[(3-methylphenyl)methylsulfanylmethyl]pyridine-2-carboxylic acid
CID 63098284
4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
CID 66448415
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile;[3-[2-(3-methylphenyl)ethyl]-2-pyridinyl]-(1-methylpiperidin-4-yl)methanone
CID 157474391
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
3-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 107521456
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide (CID 18338468) is N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide is CNC(=O)c1ncccc1CCc1cccc(C)c1.
What is the InChIKey of N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is NRFVCLYOXQKOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-5-3-6-13(11-12)8-9-14-7-4-10-18-15(14)16(19)17-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide?
N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 18338468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).