6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

C24H22F2N4O2 — CID 89457592

IUPAC6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H22F2N4O2/c25-20-3-1-2-17(10-20)22-5-4-18(14-28-22)23(31)29-12-16-6-8-30(9-7-16)24(32)19-11-21(26)15-27-13-19/h1-5,10-11,13-16H,6-9,12H2,(H,29,31)
InChIKeyRNHXCRRYSUPGGW-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.70
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 89457592) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID89457592
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H22F2N4O2/c25-20-3-1-2-17(10-20)22-5-4-18(14-28-22)23(31)29-12-16-6-8-30(9-7-16)24(32)19-11-21(26)15-27-13-19/h1-5,10-11,13-16H,6-9,12H2,(H,29,31)
InChIKeyRNHXCRRYSUPGGW-UHFFFAOYSA-N
XLogP3.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]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

Related Compounds

2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
6-(3-fluorophenyl)-N-[1-[5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24991043
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401581
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 89457592) is 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(C(=O)c2cncc(F)c2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is RNHXCRRYSUPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c25-20-3-1-2-17(10-20)22-5-4-18(14-28-22)23(31)29-12-16-6-8-30(9-7-16)24(32)19-11-21(26)15-27-13-19/h1-5,10-11,13-16H,6-9,12H2,(H,29,31).
What are the key properties of 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 89457592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).