[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C29H31N3O2 — CID 43070750

IUPAC[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cccc(C(=O)N3CCCC3c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C29H31N3O2/c1-20-10-14-22(15-11-20)26-8-4-18-31(26)28(33)24-6-3-7-25(30-24)29(34)32-19-5-9-27(32)23-16-12-21(2)13-17-23/h3,6-7,10-17,26-27H,4-5,8-9,18-19H2,1-2H3
InChIKeyCJWIUABOPKDIMD-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.65
Rot. Bonds4

About [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 43070750) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID43070750
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2cccc(C(=O)N3CCCC3c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C29H31N3O2/c1-20-10-14-22(15-11-20)26-8-4-18-31(26)28(33)24-6-3-7-25(30-24)29(34)32-19-5-9-27(32)23-16-12-21(2)13-17-23/h3,6-7,10-17,26-27H,4-5,8-9,18-19H2,1-2H3
InChIKeyCJWIUABOPKDIMD-UHFFFAOYSA-N
XLogP5.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone
CID 75456438
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
methyl 6-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 94808535
methyl 6-[(2S)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 96999470
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 43070750) is [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2cccc(C(=O)N3CCCC3c3ccc(C)cc3)n2)cc1.
What is the InChIKey of [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CJWIUABOPKDIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-20-10-14-22(15-11-20)26-8-4-18-31(26)28(33)24-6-3-7-25(30-24)29(34)32-19-5-9-27(32)23-16-12-21(2)13-17-23/h3,6-7,10-17,26-27H,4-5,8-9,18-19H2,1-2H3.
What are the key properties of [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 453.59 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 43070750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).