2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

C17H19ClN2O2 — CID 46988777

IUPAC2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCOCCN(Cc1ccc(C)cc1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-3-5-14(6-4-13)12-20(9-10-22-2)17(21)15-7-8-19-16(18)11-15/h3-8,11H,9-10,12H2,1-2H3
InChIKeyXYGQMSURUVSOTP-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.33
Rot. Bonds6

About 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 46988777) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID46988777
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCOCCN(Cc1ccc(C)cc1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-13-3-5-14(6-4-13)12-20(9-10-22-2)17(21)15-7-8-19-16(18)11-15/h3-8,11H,9-10,12H2,1-2H3
InChIKeyXYGQMSURUVSOTP-UHFFFAOYSA-N
XLogP3.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylpyridine-4-carboxamide
CID 106754271
N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 131945864
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 121085114
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
3-chloro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3448969
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 46988777) is 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is COCCN(Cc1ccc(C)cc1)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is XYGQMSURUVSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-3-5-14(6-4-13)12-20(9-10-22-2)17(21)15-7-8-19-16(18)11-15/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 46988777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).