2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide

C25H25FN4O3 — CID 46360654

IUPAC2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H25FN4O3/c1-33-22-5-3-2-4-21(22)29-25(32)18-10-13-27-23(16-18)30-14-11-17(12-15-30)24(31)28-20-8-6-19(26)7-9-20/h2-10,13,16-17H,11-12,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyGBXKAMLKGRXKDS-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide

2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 46360654) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID46360654
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H25FN4O3/c1-33-22-5-3-2-4-21(22)29-25(32)18-10-13-27-23(16-18)30-14-11-17(12-15-30)24(31)28-20-8-6-19(26)7-9-20/h2-10,13,16-17H,11-12,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyGBXKAMLKGRXKDS-UHFFFAOYSA-N
XLogP4.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
N-(2-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360832
2-[4-[(4-ethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 46360822
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796
N-(2-fluorophenyl)-2-[4-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360827
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide (CID 46360654) is 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is GBXKAMLKGRXKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-33-22-5-3-2-4-21(22)29-25(32)18-10-13-27-23(16-18)30-14-11-17(12-15-30)24(31)28-20-8-6-19(26)7-9-20/h2-10,13,16-17H,11-12,14-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide?
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46360654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).