(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone

C27H24N4O — CID 171673570

IUPAC(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc(C2CCCN2C(=O)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C27H24N4O/c1-19-8-6-9-20(16-19)26-12-7-15-31(26)27(32)21-17-24(22-10-2-4-13-28-22)30-25(18-21)23-11-3-5-14-29-23/h2-6,8-11,13-14,16-18,26H,7,12,15H2,1H3
InChIKeyPOFULBBZZBJIHF-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.49
Rot. Bonds4

About (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone

(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 171673570) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID171673570
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc(C2CCCN2C(=O)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C27H24N4O/c1-19-8-6-9-20(16-19)26-12-7-15-31(26)27(32)21-17-24(22-10-2-4-13-28-22)30-25(18-21)23-11-3-5-14-29-23/h2-6,8-11,13-14,16-18,26H,7,12,15H2,1H3
InChIKeyPOFULBBZZBJIHF-UHFFFAOYSA-N
XLogP5.49
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
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CID 102557213
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 166231310
[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125167205
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597

Frequently Asked Questions

What is the IUPAC name of (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone (CID 171673570) is (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone is Cc1cccc(C2CCCN2C(=O)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is POFULBBZZBJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c1-19-8-6-9-20(16-19)26-12-7-15-31(26)27(32)21-17-24(22-10-2-4-13-28-22)30-25(18-21)23-11-3-5-14-29-23/h2-6,8-11,13-14,16-18,26H,7,12,15H2,1H3.
What are the key properties of (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone?
(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 420.52 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 171673570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).