[4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone

C27H22N2O2 — CID 126575134

IUPAC[4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone
SMILESCN(Cc1ccc(C(=O)c2ccccn2)cc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H22N2O2/c1-29(24-16-14-22(15-17-24)26(30)21-7-3-2-4-8-21)19-20-10-12-23(13-11-20)27(31)25-9-5-6-18-28-25/h2-18H,19H2,1H3
InChIKeyKSDWGMRSVIOWJO-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.18
Rot. Bonds7

About [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone

[4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone (PubChem CID 126575134) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone
PubChem CID126575134
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name[4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone
SMILESCN(Cc1ccc(C(=O)c2ccccn2)cc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H22N2O2/c1-29(24-16-14-22(15-17-24)26(30)21-7-3-2-4-8-21)19-20-10-12-23(13-11-20)27(31)25-9-5-6-18-28-25/h2-18H,19H2,1H3
InChIKeyKSDWGMRSVIOWJO-UHFFFAOYSA-N
XLogP5.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

copper;bis(phenyl(pyridin-2-yl)methanone);diisothiocyanate
CID 139144534
[4-(dimethylamino)phenyl]-phenylmethanone
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3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
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N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
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N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
CID 75463659
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone?
The IUPAC name of [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone (CID 126575134) is [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone is CN(Cc1ccc(C(=O)c2ccccn2)cc1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone?
The InChIKey is KSDWGMRSVIOWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-29(24-16-14-22(15-17-24)26(30)21-7-3-2-4-8-21)19-20-10-12-23(13-11-20)27(31)25-9-5-6-18-28-25/h2-18H,19H2,1H3.
What are the key properties of [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone?
[4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone has a molecular weight of 406.49 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[[4-(pyridine-2-carbonyl)phenyl]methyl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 126575134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).