N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide

C26H31FN4O3 — CID 77407419

IUPACN-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide
SMILESC=C(c1ccc(C(=O)NC2CCNCC2F)cn1)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H31FN4O3/c1-17(23-8-5-20(15-29-23)26(33)30-24-9-12-28-16-22(24)27)31-13-10-19(11-14-31)25(32)18-3-6-21(34-2)7-4-18/h3-8,15,19,22,24,28H,1,9-14,16H2,2H3,(H,30,33)
InChIKeyNKOXFHYVWQBKOC-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.09
Rot. Bonds7

About N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide

N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide (PubChem CID 77407419) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide
PubChem CID77407419
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC NameN-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide
SMILESC=C(c1ccc(C(=O)NC2CCNCC2F)cn1)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H31FN4O3/c1-17(23-8-5-20(15-29-23)26(33)30-24-9-12-28-16-22(24)27)31-13-10-19(11-14-31)25(32)18-3-6-21(34-2)7-4-18/h3-8,15,19,22,24,28H,1,9-14,16H2,2H3,(H,30,33)
InChIKeyNKOXFHYVWQBKOC-UHFFFAOYSA-N
XLogP3.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073200
N-[(3R,4R)-4-[(4-cyanophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66713813
N-[(3S,4S)-1-[(4-cyano-3-fluorophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710728
6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide
CID 123912499
N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710292
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[1-(3-hydroxypiperidin-4-yl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 67993078
5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-2-carboxamide
CID 123277304
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
tert-butyl (3S)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
CID 58073237
(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119699792

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide (CID 77407419) is N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide is C=C(c1ccc(C(=O)NC2CCNCC2F)cn1)N1CCC(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide?
The InChIKey is NKOXFHYVWQBKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-17(23-8-5-20(15-29-23)26(33)30-24-9-12-28-16-22(24)27)31-13-10-19(11-14-31)25(32)18-3-6-21(34-2)7-4-18/h3-8,15,19,22,24,28H,1,9-14,16H2,2H3,(H,30,33).
What are the key properties of N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide?
N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 77407419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).