N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

C26H32F2N4O2 — CID 154440815

IUPACN-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCC(F)(F)C4)CC3)c2)c1
InChIInChI=1S/C26H32F2N4O2/c1-18-12-21(16-29-15-18)25(34)30-22-5-2-4-19(13-22)17-32-10-7-20(8-11-32)24(33)31-23-6-3-9-26(27,28)14-23/h2,4-5,12-13,15-16,20,23H,3,6-11,14,17H2,1H3,(H,30,34)(H,31,33)
InChIKeyBEUBMCGPAUWBDB-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.55
Rot. Bonds6

About N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 154440815) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID154440815
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCC(F)(F)C4)CC3)c2)c1
InChIInChI=1S/C26H32F2N4O2/c1-18-12-21(16-29-15-18)25(34)30-22-5-2-4-19(13-22)17-32-10-7-20(8-11-32)24(33)31-23-6-3-9-26(27,28)14-23/h2,4-5,12-13,15-16,20,23H,3,6-11,14,17H2,1H3,(H,30,34)(H,31,33)
InChIKeyBEUBMCGPAUWBDB-UHFFFAOYSA-N
XLogP4.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
CID 72704841
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 118521906
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801465
3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 56707701

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide (CID 154440815) is N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(CN3CCC(C(=O)NC4CCCC(F)(F)C4)CC3)c2)c1.
What is the InChIKey of N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is BEUBMCGPAUWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-18-12-21(16-29-15-18)25(34)30-22-5-2-4-19(13-22)17-32-10-7-20(8-11-32)24(33)31-23-6-3-9-26(27,28)14-23/h2,4-5,12-13,15-16,20,23H,3,6-11,14,17H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide?
N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 154440815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).