N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

C26H34FN3O — CID 46069178

IUPACN-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C26H34FN3O/c1-19-10-11-24(26(31)28-17-20-6-3-2-4-7-20)25(29-19)22-12-14-30(15-13-22)18-21-8-5-9-23(27)16-21/h5,8-11,16,20,22H,2-4,6-7,12-15,17-18H2,1H3,(H,28,31)
InChIKeyYOSVXVZRBWLBQR-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.22
Rot. Bonds6

About N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 46069178) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID46069178
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC NameN-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C26H34FN3O/c1-19-10-11-24(26(31)28-17-20-6-3-2-4-7-20)25(29-19)22-12-14-30(15-13-22)18-21-8-5-9-23(27)16-21/h5,8-11,16,20,22H,2-4,6-7,12-15,17-18H2,1H3,(H,28,31)
InChIKeyYOSVXVZRBWLBQR-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044852
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 92998769
N-[(3-fluorophenyl)methyl]-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867550
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069186
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42868248
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 46069178) is N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is YOSVXVZRBWLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-19-10-11-24(26(31)28-17-20-6-3-2-4-7-20)25(29-19)22-12-14-30(15-13-22)18-21-8-5-9-23(27)16-21/h5,8-11,16,20,22H,2-4,6-7,12-15,17-18H2,1H3,(H,28,31).
What are the key properties of N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46069178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).