N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide

C21H21F3N6O2 — CID 173163988

IUPACN-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cc(NC(=O)c2nnc(Nc3ccc(C(F)(F)F)cc3)o2)cnc1N1CCCCC1
InChIInChI=1S/C21H21F3N6O2/c1-13-11-16(12-25-17(13)30-9-3-2-4-10-30)26-18(31)19-28-29-20(32-19)27-15-7-5-14(6-8-15)21(22,23)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,31)(H,27,29)
InChIKeyYTUHEPHACRQSIG-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.78
Rot. Bonds5

About N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide

N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 173163988) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide
PubChem CID173163988
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC NameN-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cc(NC(=O)c2nnc(Nc3ccc(C(F)(F)F)cc3)o2)cnc1N1CCCCC1
InChIInChI=1S/C21H21F3N6O2/c1-13-11-16(12-25-17(13)30-9-3-2-4-10-30)26-18(31)19-28-29-20(32-19)27-15-7-5-14(6-8-15)21(22,23)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,31)(H,27,29)
InChIKeyYTUHEPHACRQSIG-UHFFFAOYSA-N
XLogP4.78
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

2-[1-[5-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 68682101
methyl 2-[1-[5-[[5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 91264909
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525911
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
2-methyl-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 75501504
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide (CID 173163988) is N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide is Cc1cc(NC(=O)c2nnc(Nc3ccc(C(F)(F)F)cc3)o2)cnc1N1CCCCC1.
What is the InChIKey of N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YTUHEPHACRQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-13-11-16(12-25-17(13)30-9-3-2-4-10-30)26-18(31)19-28-29-20(32-19)27-15-7-5-14(6-8-15)21(22,23)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,31)(H,27,29).
What are the key properties of N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide?
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 173163988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).