[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone

C24H25N3O — CID 119073506

IUPAC[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN(C(=O)c2cccc(-c3cncc(N)c3)c2)C1
InChIInChI=1S/C24H25N3O/c1-17-6-2-3-10-23(17)20-9-5-11-27(16-20)24(28)19-8-4-7-18(12-19)21-13-22(25)15-26-14-21/h2-4,6-8,10,12-15,20H,5,9,11,16,25H2,1H3
InChIKeyPTMQEGFQNQJXAR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.66
Rot. Bonds3

About [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone

[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 119073506) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID119073506
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCCN(C(=O)c2cccc(-c3cncc(N)c3)c2)C1
InChIInChI=1S/C24H25N3O/c1-17-6-2-3-10-23(17)20-9-5-11-27(16-20)24(28)19-8-4-7-18(12-19)21-13-22(25)15-26-14-21/h2-4,6-8,10,12-15,20H,5,9,11,16,25H2,1H3
InChIKeyPTMQEGFQNQJXAR-UHFFFAOYSA-N
XLogP4.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(5-amino-3-pyridinyl)phenyl]-[(3S)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 126451314
[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-[(3S)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 125167211
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70763427
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[(3S)-3-(2-methylphenyl)piperidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone
CID 25384156
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125439162
3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536454

Frequently Asked Questions

What is the IUPAC name of [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone (CID 119073506) is [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone is Cc1ccccc1C1CCCN(C(=O)c2cccc(-c3cncc(N)c3)c2)C1.
What is the InChIKey of [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is PTMQEGFQNQJXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-6-2-3-10-23(17)20-9-5-11-27(16-20)24(28)19-8-4-7-18(12-19)21-13-22(25)15-26-14-21/h2-4,6-8,10,12-15,20H,5,9,11,16,25H2,1H3.
What are the key properties of [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone?
[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119073506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).