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

C20H13F2N5O2 — CID 118378708

IUPAC2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1cnc(NC(=O)c2ccnc(F)c2F)cn1
InChIInChI=1S/C20H13F2N5O2/c1-11-2-3-12(20-24-6-7-29-20)8-14(11)15-9-26-16(10-25-15)27-19(28)13-4-5-23-18(22)17(13)21/h2-10H,1H3,(H,26,27,28)
InChIKeyDUFIXPYOQHOCLJ-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.03
Rot. Bonds4

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

2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (PubChem CID 118378708) has the molecular formula C20H13F2N5O2 and a molecular weight of 393.35 g/mol. Its IUPAC name is 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
PubChem CID118378708
Molecular FormulaC20H13F2N5O2
Molecular Weight393.35 g/mol
Exact Mass393.10
IUPAC Name2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1cnc(NC(=O)c2ccnc(F)c2F)cn1
InChIInChI=1S/C20H13F2N5O2/c1-11-2-3-12(20-24-6-7-29-20)8-14(11)15-9-26-16(10-25-15)27-19(28)13-4-5-23-18(22)17(13)21/h2-10H,1H3,(H,26,27,28)
InChIKeyDUFIXPYOQHOCLJ-UHFFFAOYSA-N
XLogP4.03
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate
CID 71205541
2-methyl-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]propanamide
CID 59002699
4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide
CID 58683963
4-methyl-N-[5-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 70979582
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
CID 118473086
5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
CID 69285195
[5-[5-[(2,3-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-3-methyltriazol-4-yl] carbamate
CID 175412728

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide (CID 118378708) is 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is Cc1ccc(-c2ncco2)cc1-c1cnc(NC(=O)c2ccnc(F)c2F)cn1.
What is the InChIKey of 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
The InChIKey is DUFIXPYOQHOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O2/c1-11-2-3-12(20-24-6-7-29-20)8-14(11)15-9-26-16(10-25-15)27-19(28)13-4-5-23-18(22)17(13)21/h2-10H,1H3,(H,26,27,28).
What are the key properties of 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide?
2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide has a molecular weight of 393.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118378708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).