[3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone

C34H34N4O2 — CID 155908958

IUPAC[3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccnc1-c1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCCC2)cc1-c1ncccc1C
InChIInChI=1S/C34H34N4O2/c1-23-9-7-15-35-31(23)29-21-25(33(39)37-17-3-4-18-37)11-13-27(29)28-14-12-26(34(40)38-19-5-6-20-38)22-30(28)32-24(2)10-8-16-36-32/h7-16,21-22H,3-6,17-20H2,1-2H3
InChIKeyASELXOJASXILQR-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.57
Rot. Bonds5

About [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone

[3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 155908958) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID155908958
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name[3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccnc1-c1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCCC2)cc1-c1ncccc1C
InChIInChI=1S/C34H34N4O2/c1-23-9-7-15-35-31(23)29-21-25(33(39)37-17-3-4-18-37)11-13-27(29)28-14-12-26(34(40)38-19-5-6-20-38)22-30(28)32-24(2)10-8-16-36-32/h7-16,21-22H,3-6,17-20H2,1-2H3
InChIKeyASELXOJASXILQR-UHFFFAOYSA-N
XLogP6.57
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

15-Pgdh-IN-1
CID 135300446
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CID 44395606
{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-pyrrolidin-1-yl-methanone
CID 44293213
{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indol-5-yl}-pyrrolidin-1-yl-methanone
CID 44293411
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CID 44307066
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
CID 57392493
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 57398678
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
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CID 10071073
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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone (CID 155908958) is [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone is Cc1cccnc1-c1cc(C(=O)N2CCCC2)ccc1-c1ccc(C(=O)N2CCCC2)cc1-c1ncccc1C.
What is the InChIKey of [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ASELXOJASXILQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-23-9-7-15-35-31(23)29-21-25(33(39)37-17-3-4-18-37)11-13-27(29)28-14-12-26(34(40)38-19-5-6-20-38)22-30(28)32-24(2)10-8-16-36-32/h7-16,21-22H,3-6,17-20H2,1-2H3.
What are the key properties of [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 530.67 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2-pyridinyl)-4-[2-(3-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155908958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).