N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide

C29H29F3N4O3 — CID 66710429

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C29H29F3N4O3/c30-21-2-4-25(5-3-21)39-26-9-12-36(18-26)29(38)20-1-6-27(33-16-20)28(37)34-24-7-10-35(11-8-24)17-19-13-22(31)15-23(32)14-19/h1-6,13-16,24,26H,7-12,17-18H2,(H,34,37)
InChIKeyADMHSPDKZAALOS-UHFFFAOYSA-N
MW538.57 g/mol
LogP4.19
Rot. Bonds7

About N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710429) has the molecular formula C29H29F3N4O3 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710429
Molecular FormulaC29H29F3N4O3
Molecular Weight538.57 g/mol
Exact Mass538.22
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C29H29F3N4O3/c30-21-2-4-25(5-3-21)39-26-9-12-36(18-26)29(38)20-1-6-27(33-16-20)28(37)34-24-7-10-35(11-8-24)17-19-13-22(31)15-23(32)14-19/h1-6,13-16,24,26H,7-12,17-18H2,(H,34,37)
InChIKeyADMHSPDKZAALOS-UHFFFAOYSA-N
XLogP4.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-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-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide (CID 66710429) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide is O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)C2)cn1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is ADMHSPDKZAALOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O3/c30-21-2-4-25(5-3-21)39-26-9-12-36(18-26)29(38)20-1-6-27(33-16-20)28(37)34-24-7-10-35(11-8-24)17-19-13-22(31)15-23(32)14-19/h1-6,13-16,24,26H,7-12,17-18H2,(H,34,37).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 538.57 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).