N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide

C15H15ClN2O — CID 106754192

IUPACN-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)ccn1
InChIInChI=1S/C15H15ClN2O/c1-11-9-13(7-8-17-11)15(19)18-10-14(16)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyRKGYTEYFFDZRBS-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.10
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide

N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide (PubChem CID 106754192) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
PubChem CID106754192
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)ccn1
InChIInChI=1S/C15H15ClN2O/c1-11-9-13(7-8-17-11)15(19)18-10-14(16)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyRKGYTEYFFDZRBS-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754281
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
CID 106754279
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-(4-chloro-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754217
2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
2-chloro-N-(2-phenylpropyl)pyridine-4-carboxamide
CID 46520684
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114039911
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide (CID 106754192) is N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCC(Cl)c2ccccc2)ccn1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide?
The InChIKey is RKGYTEYFFDZRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-9-13(7-8-17-11)15(19)18-10-14(16)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide?
N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).