[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C29H27N3O2 — CID 154837601

IUPAC[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cncc(C(=O)N2CCC=C(c3ccccc3)C2)c1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C29H27N3O2/c33-28(31-15-7-13-24(20-31)22-9-3-1-4-10-22)26-17-27(19-30-18-26)29(34)32-16-8-14-25(21-32)23-11-5-2-6-12-23/h1-6,9-14,17-19H,7-8,15-16,20-21H2
InChIKeyDZPSDLLYPXIAMR-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.94
Rot. Bonds4

About [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 154837601) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID154837601
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1cncc(C(=O)N2CCC=C(c3ccccc3)C2)c1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C29H27N3O2/c33-28(31-15-7-13-24(20-31)22-9-3-1-4-10-22)26-17-27(19-30-18-26)29(34)32-16-8-14-25(21-32)23-11-5-2-6-12-23/h1-6,9-14,17-19H,7-8,15-16,20-21H2
InChIKeyDZPSDLLYPXIAMR-UHFFFAOYSA-N
XLogP4.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154880066
5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 167960122
N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
CID 109105429
3-[5-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methylbenzoic acid
CID 166398016
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
(2,3-dimethylphenyl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125142867
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 100641585
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427

Frequently Asked Questions

What is the IUPAC name of [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 154837601) is [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1cncc(C(=O)N2CCC=C(c3ccccc3)C2)c1)N1CCC=C(c2ccccc2)C1.
What is the InChIKey of [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is DZPSDLLYPXIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28(31-15-7-13-24(20-31)22-9-3-1-4-10-22)26-17-27(19-30-18-26)29(34)32-16-8-14-25(21-32)23-11-5-2-6-12-23/h1-6,9-14,17-19H,7-8,15-16,20-21H2.
What are the key properties of [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 449.55 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 154837601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).