N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C31H34FN5O2 — CID 70872749

IUPACN-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C31H34FN5O2/c1-5-23-16-21(4)26(17-27(23)36-29(38)24-8-11-28(34-19-24)35-20(2)3)30(39)37-14-12-31(32,13-15-37)25-9-6-22(18-33)7-10-25/h6-11,16-17,19-20H,5,12-15H2,1-4H3,(H,34,35)(H,36,38)
InChIKeyUSLCLHYCGFHTSE-UHFFFAOYSA-N
MW527.64 g/mol
LogP6.00
Rot. Bonds7

About N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 70872749) has the molecular formula C31H34FN5O2 and a molecular weight of 527.64 g/mol. Its IUPAC name is N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID70872749
Molecular FormulaC31H34FN5O2
Molecular Weight527.64 g/mol
Exact Mass527.27
IUPAC NameN-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C31H34FN5O2/c1-5-23-16-21(4)26(17-27(23)36-29(38)24-8-11-28(34-19-24)35-20(2)3)30(39)37-14-12-31(32,13-15-37)25-9-6-22(18-33)7-10-25/h6-11,16-17,19-20H,5,12-15H2,1-4H3,(H,34,35)(H,36,38)
InChIKeyUSLCLHYCGFHTSE-UHFFFAOYSA-N
XLogP6.00
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.64
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-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-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 70872749) is N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is CCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.
What is the InChIKey of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is USLCLHYCGFHTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN5O2/c1-5-23-16-21(4)26(17-27(23)36-29(38)24-8-11-28(34-19-24)35-20(2)3)30(39)37-14-12-31(32,13-15-37)25-9-6-22(18-33)7-10-25/h6-11,16-17,19-20H,5,12-15H2,1-4H3,(H,34,35)(H,36,38).
What are the key properties of N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 527.64 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-cyanophenyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 70872749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).