N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

C18H9ClF2N6O2 — CID 11509888

IUPACN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1)c1c(F)cncc1F
InChIInChI=1S/C18H9ClF2N6O2/c19-11-2-1-9(18-27-25-8-29-18)3-10(11)14-6-24-15(7-23-14)26-17(28)16-12(20)4-22-5-13(16)21/h1-8H,(H,24,26,28)
InChIKeyCULNCXUQQPBSBN-UHFFFAOYSA-N
MW414.76 g/mol
LogP3.77
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 11509888) has the molecular formula C18H9ClF2N6O2 and a molecular weight of 414.76 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID11509888
Molecular FormulaC18H9ClF2N6O2
Molecular Weight414.76 g/mol
Exact Mass414.04
IUPAC NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1)c1c(F)cncc1F
InChIInChI=1S/C18H9ClF2N6O2/c19-11-2-1-9(18-27-25-8-29-18)3-10(11)14-6-24-15(7-23-14)26-17(28)16-12(20)4-22-5-13(16)21/h1-8H,(H,24,26,28)
InChIKeyCULNCXUQQPBSBN-UHFFFAOYSA-N
XLogP3.77
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 145960367
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145962839
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 155510992
N-[(1R)-1-[2-chloro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 155531616
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(2-fluoro-5-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145962361
N-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-[5-(3-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 145960664
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]pyridin-2-amine
CID 97548955
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
CID 11494941
Methyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11502298
2-Methoxyethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11503273
N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 11589689

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 11509888) is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1cnc(-c2cc(-c3nnco3)ccc2Cl)cn1)c1c(F)cncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is CULNCXUQQPBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N6O2/c19-11-2-1-9(18-27-25-8-29-18)3-10(11)14-6-24-15(7-23-14)26-17(28)16-12(20)4-22-5-13(16)21/h1-8H,(H,24,26,28).
What are the key properties of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 414.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 11509888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).