(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C23H29N3O2 — CID 92579132

IUPAC(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NCC(C)C)C1
InChIInChI=1S/C23H29N3O2/c1-17(2)15-25-22(28)23(10-13-26(16-23)18(3)27)14-20-6-4-5-7-21(20)19-8-11-24-12-9-19/h4-9,11-12,17H,10,13-16H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeySRCQYOJDCXLTJS-QHCPKHFHSA-N
MW379.50 g/mol
LogP3.30
Rot. Bonds6

About (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92579132) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92579132
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NCC(C)C)C1
InChIInChI=1S/C23H29N3O2/c1-17(2)15-25-22(28)23(10-13-26(16-23)18(3)27)14-20-6-4-5-7-21(20)19-8-11-24-12-9-19/h4-9,11-12,17H,10,13-16H2,1-3H3,(H,25,28)/t23-/m0/s1
InChIKeySRCQYOJDCXLTJS-QHCPKHFHSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92579132) is (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(=O)N1CC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NCC(C)C)C1.
What is the InChIKey of (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is SRCQYOJDCXLTJS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)15-25-22(28)23(10-13-26(16-23)18(3)27)14-20-6-4-5-7-21(20)19-8-11-24-12-9-19/h4-9,11-12,17H,10,13-16H2,1-3H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92579132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).