(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone

C14H13ClN2O — CID 138968408

IUPAC(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
SMILESCN(C)c1ccnc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O/c1-17(2)12-7-8-16-13(9-12)14(18)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKeyWWINKWMBANSXSC-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.03
Rot. Bonds3

About (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone

(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone (PubChem CID 138968408) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
PubChem CID138968408
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
SMILESCN(C)c1ccnc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O/c1-17(2)12-7-8-16-13(9-12)14(18)10-3-5-11(15)6-4-10/h3-9H,1-2H3
InChIKeyWWINKWMBANSXSC-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
2-(4-chlorobenzoyl)pyridine-4-carbothioamide
CID 5372484
N-(5-acetyl-2-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 99828836
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 86801237
2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene
CID 23320864
N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
CID 86801277
4-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62983627
(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
CID 107559829
N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 154750641
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone (CID 138968408) is (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone is CN(C)c1ccnc(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone?
The InChIKey is WWINKWMBANSXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-17(2)12-7-8-16-13(9-12)14(18)10-3-5-11(15)6-4-10/h3-9H,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone?
(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone has a molecular weight of 260.72 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 138968408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).