1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone

C21H20N2O — CID 71528165

IUPAC1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(Nc2ncccc2C)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-15-7-6-14-22-21(15)23-20(18-8-4-3-5-9-18)19-12-10-17(11-13-19)16(2)24/h3-14,20H,1-2H3,(H,22,23)
InChIKeyPJJPOUBWEMKRGO-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.79
Rot. Bonds5

About 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone

1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone (PubChem CID 71528165) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone
PubChem CID71528165
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(Nc2ncccc2C)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-15-7-6-14-22-21(15)23-20(18-8-4-3-5-9-18)19-12-10-17(11-13-19)16(2)24/h3-14,20H,1-2H3,(H,22,23)
InChIKeyPJJPOUBWEMKRGO-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
2-(benzhydrylamino)pyridine-3-carboxylic acid
CID 82341815
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine
CID 71661923
N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
CID 71661925
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934
3-methyl-N-(1-phenylpentyl)pyridin-2-amine
CID 134824082
ethyl 6-[(3-methyl-2-pyridinyl)amino]-6-phenylhexanoate
CID 134824203
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
4-[methylamino(pyridin-2-yl)methyl]benzoic acid
CID 116953941

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone (CID 71528165) is 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone is CC(=O)c1ccc(C(Nc2ncccc2C)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone?
The InChIKey is PJJPOUBWEMKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-7-6-14-22-21(15)23-20(18-8-4-3-5-9-18)19-12-10-17(11-13-19)16(2)24/h3-14,20H,1-2H3,(H,22,23).
What are the key properties of 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone?
1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]phenyl]ethanone is sourced from PubChem (CID 71528165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).