5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide

C14H12ClFN4O — CID 109271673

IUPAC5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C14H12ClFN4O/c15-10-5-9(3-4-11(10)16)19-13-7-17-12(6-18-13)14(21)20-8-1-2-8/h3-8H,1-2H2,(H,18,19)(H,20,21)
InChIKeyPZPWJPFTDMKPEY-UHFFFAOYSA-N
MW306.73 g/mol
LogP2.90
Rot. Bonds4

About 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide

5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide (PubChem CID 109271673) has the molecular formula C14H12ClFN4O and a molecular weight of 306.73 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
PubChem CID109271673
Molecular FormulaC14H12ClFN4O
Molecular Weight306.73 g/mol
Exact Mass306.07
IUPAC Name5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C14H12ClFN4O/c15-10-5-9(3-4-11(10)16)19-13-7-17-12(6-18-13)14(21)20-8-1-2-8/h3-8H,1-2H2,(H,18,19)(H,20,21)
InChIKeyPZPWJPFTDMKPEY-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
6-(3-chloro-4-fluoroanilino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113080
5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564
5-(3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284289
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734
5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271696
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
N-cyclopropyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109271723
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223675
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide (CID 109271673) is 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide?
The InChIKey is PZPWJPFTDMKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O/c15-10-5-9(3-4-11(10)16)19-13-7-17-12(6-18-13)14(21)20-8-1-2-8/h3-8H,1-2H2,(H,18,19)(H,20,21).
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide?
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide has a molecular weight of 306.73 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide is sourced from PubChem (CID 109271673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).