N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide

C32H29F3N4O3 — CID 78024282

IUPACN-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESNC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)C2CC(OCc3ccccc3)CN2)ccc1F
InChIInChI=1S/C32H29F3N4O3/c33-22-11-20(12-23(34)15-22)13-28(30-25(7-4-10-37-30)21-8-9-27(35)26(14-21)31(36)40)39-32(41)29-16-24(17-38-29)42-18-19-5-2-1-3-6-19/h1-12,14-15,24,28-29,38H,13,16-18H2,(H2,36,40)(H,39,41)
InChIKeyKXAFABBCKGOGHU-UHFFFAOYSA-N
MW574.60 g/mol
LogP4.61
Rot. Bonds10

About N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide

N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 78024282) has the molecular formula C32H29F3N4O3 and a molecular weight of 574.60 g/mol. Its IUPAC name is N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID78024282
Molecular FormulaC32H29F3N4O3
Molecular Weight574.60 g/mol
Exact Mass574.22
IUPAC NameN-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESNC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)C2CC(OCc3ccccc3)CN2)ccc1F
InChIInChI=1S/C32H29F3N4O3/c33-22-11-20(12-23(34)15-22)13-28(30-25(7-4-10-37-30)21-8-9-27(35)26(14-21)31(36)40)39-32(41)29-16-24(17-38-29)42-18-19-5-2-1-3-6-19/h1-12,14-15,24,28-29,38H,13,16-18H2,(H2,36,40)(H,39,41)
InChIKeyKXAFABBCKGOGHU-UHFFFAOYSA-N
XLogP4.61
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.60
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide (CID 78024282) is N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide is NC(=O)c1cc(-c2cccnc2C(Cc2cc(F)cc(F)c2)NC(=O)C2CC(OCc3ccccc3)CN2)ccc1F.
What is the InChIKey of N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is KXAFABBCKGOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F3N4O3/c33-22-11-20(12-23(34)15-22)13-28(30-25(7-4-10-37-30)21-8-9-27(35)26(14-21)31(36)40)39-32(41)29-16-24(17-38-29)42-18-19-5-2-1-3-6-19/h1-12,14-15,24,28-29,38H,13,16-18H2,(H2,36,40)(H,39,41).
What are the key properties of N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide?
N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 574.60 g/mol, XLogP of 4.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-4-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 78024282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).