[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone

C20H18N2O — CID 102545394

IUPAC[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
SMILESCc1cc(N(C)c2ccccc2)ncc1C(=O)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-13-19(22(2)17-11-7-4-8-12-17)21-14-18(15)20(23)16-9-5-3-6-10-16/h3-14H,1-2H3
InChIKeyLLFSIYZURZTMNT-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.39
Rot. Bonds4

About [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone

[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone (PubChem CID 102545394) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
PubChem CID102545394
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
SMILESCc1cc(N(C)c2ccccc2)ncc1C(=O)c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-13-19(22(2)17-11-7-4-8-12-17)21-14-18(15)20(23)16-9-5-3-6-10-16/h3-14H,1-2H3
InChIKeyLLFSIYZURZTMNT-UHFFFAOYSA-N
XLogP4.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
5-amino-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 114089948
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787
(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
CID 102545495
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113016484
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone?
The IUPAC name of [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone (CID 102545394) is [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone is Cc1cc(N(C)c2ccccc2)ncc1C(=O)c1ccccc1.
What is the InChIKey of [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone?
The InChIKey is LLFSIYZURZTMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-13-19(22(2)17-11-7-4-8-12-17)21-14-18(15)20(23)16-9-5-3-6-10-16/h3-14H,1-2H3.
What are the key properties of [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone?
[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone has a molecular weight of 302.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 102545394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).