N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

C20H22FN3O2 — CID 109086578

IUPACN-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C20H22FN3O2/c1-14-3-2-10-24(13-14)20(26)16-8-9-22-18(11-16)19(25)23-12-15-4-6-17(21)7-5-15/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyRXEWQYFRTLZXRB-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.02
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109086578) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109086578
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)C1
InChIInChI=1S/C20H22FN3O2/c1-14-3-2-10-24(13-14)20(26)16-8-9-22-18(11-16)19(25)23-12-15-4-6-17(21)7-5-15/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyRXEWQYFRTLZXRB-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523035
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109086578) is N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is CC1CCCN(C(=O)c2ccnc(C(=O)NCc3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is RXEWQYFRTLZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-3-2-10-24(13-14)20(26)16-8-9-22-18(11-16)19(25)23-12-15-4-6-17(21)7-5-15/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109086578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).