3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide

C21H14F2N4O2 — CID 58683776

IUPAC3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)cc1
InChIInChI=1S/C21H14F2N4O2/c1-12-2-3-14(21-27-25-11-29-21)8-16(12)13-4-6-15(7-5-13)26-20(28)19-17(22)9-24-10-18(19)23/h2-11H,1H3,(H,26,28)
InChIKeyIBXFTAMPNIFRLP-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.64
Rot. Bonds4

About 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide

3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (PubChem CID 58683776) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
PubChem CID58683776
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)cc1
InChIInChI=1S/C21H14F2N4O2/c1-12-2-3-14(21-27-25-11-29-21)8-16(12)13-4-6-15(7-5-13)26-20(28)19-17(22)9-24-10-18(19)23/h2-11H,1H3,(H,26,28)
InChIKeyIBXFTAMPNIFRLP-UHFFFAOYSA-N
XLogP4.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
[3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazol-5-yl] formate
CID 118473087
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 67515366
3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
CID 69285195
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
3,5-difluoro-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703397
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11559715

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (CID 58683776) is 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is Cc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The InChIKey is IBXFTAMPNIFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c1-12-2-3-14(21-27-25-11-29-21)8-16(12)13-4-6-15(7-5-13)26-20(28)19-17(22)9-24-10-18(19)23/h2-11H,1H3,(H,26,28).
What are the key properties of 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide has a molecular weight of 392.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 58683776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).