2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

C30H37N3O3 — CID 11352261

IUPAC2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1cc(C)cc(C(C)(C)C(=O)N(C)c2cnc(N3CC(O)CC3CO)cc2-c2ccccc2C)c1
InChIInChI=1S/C30H37N3O3/c1-19-11-20(2)13-22(12-19)30(4,5)29(36)32(6)27-16-31-28(33-17-24(35)14-23(33)18-34)15-26(27)25-10-8-7-9-21(25)3/h7-13,15-16,23-24,34-35H,14,17-18H2,1-6H3
InChIKeyLHYWOCBUANNECE-UHFFFAOYSA-N
MW487.64 g/mol
LogP4.55
Rot. Bonds6

About 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 11352261) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID11352261
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCc1cc(C)cc(C(C)(C)C(=O)N(C)c2cnc(N3CC(O)CC3CO)cc2-c2ccccc2C)c1
InChIInChI=1S/C30H37N3O3/c1-19-11-20(2)13-22(12-19)30(4,5)29(36)32(6)27-16-31-28(33-17-24(35)14-23(33)18-34)15-26(27)25-10-8-7-9-21(25)3/h7-13,15-16,23-24,34-35H,14,17-18H2,1-6H3
InChIKeyLHYWOCBUANNECE-UHFFFAOYSA-N
XLogP4.55
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide (CID 11352261) is 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is Cc1cc(C)cc(C(C)(C)C(=O)N(C)c2cnc(N3CC(O)CC3CO)cc2-c2ccccc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is LHYWOCBUANNECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-19-11-20(2)13-22(12-19)30(4,5)29(36)32(6)27-16-31-28(33-17-24(35)14-23(33)18-34)15-26(27)25-10-8-7-9-21(25)3/h7-13,15-16,23-24,34-35H,14,17-18H2,1-6H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide?
2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 487.64 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-[6-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 11352261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).