2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide

C22H27N3O3 — CID 46942622

IUPAC2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)C1(C)CCCN1C(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(2)15-24-21(27)22(3)12-8-14-25(22)20(26)18-11-7-13-23-19(18)28-17-9-5-4-6-10-17/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,24,27)
InChIKeyZHIRBWKXLNRCPO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.64
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide

2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 46942622) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID46942622
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)C1(C)CCCN1C(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-16(2)15-24-21(27)22(3)12-8-14-25(22)20(26)18-11-7-13-23-19(18)28-17-9-5-4-6-10-17/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,24,27)
InChIKeyZHIRBWKXLNRCPO-UHFFFAOYSA-N
XLogP3.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 46942622) is 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide is CC(C)CNC(=O)C1(C)CCCN1C(=O)c1cccnc1Oc1ccccc1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ZHIRBWKXLNRCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)15-24-21(27)22(3)12-8-14-25(22)20(26)18-11-7-13-23-19(18)28-17-9-5-4-6-10-17/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide?
2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1-(2-phenoxypyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46942622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).