carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

C19H14F2N4O3 — CID 161010800

IUPACcarbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESCc1ccc(C)c(-c2cnc(NC(=O)c3c(F)cncc3F)cn2)c1.O=C=O
InChIInChI=1S/C18H14F2N4O.CO2/c1-10-3-4-11(2)12(5-10)15-8-23-16(9-22-15)24-18(25)17-13(19)6-21-7-14(17)20;2-1-3/h3-9H,1-2H3,(H,23,24,25);
InChIKeyTXCINUBMNZUYNN-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.10
Rot. Bonds3

About carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide

carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 161010800) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound Namecarbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID161010800
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Namecarbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESCc1ccc(C)c(-c2cnc(NC(=O)c3c(F)cncc3F)cn2)c1.O=C=O
InChIInChI=1S/C18H14F2N4O.CO2/c1-10-3-4-11(2)12(5-10)15-8-23-16(9-22-15)24-18(25)17-13(19)6-21-7-14(17)20;2-1-3/h3-9H,1-2H3,(H,23,24,25);
InChIKeyTXCINUBMNZUYNN-UHFFFAOYSA-N
XLogP3.10
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidothioate
CID 70323306
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70320031
N-[5-[2-chloro-5-(trifluoromethyl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 58683993
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804
3-fluoro-N-[5-[2-methyl-5-(trifluoromethyl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 58683977
5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
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
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 67517427

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 161010800) is carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is Cc1ccc(C)c(-c2cnc(NC(=O)c3c(F)cncc3F)cn2)c1.O=C=O.
What is the InChIKey of carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is TXCINUBMNZUYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O.CO2/c1-10-3-4-11(2)12(5-10)15-8-23-16(9-22-15)24-18(25)17-13(19)6-21-7-14(17)20;2-1-3/h3-9H,1-2H3,(H,23,24,25);.
What are the key properties of carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 161010800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).