N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide

C18H14F2N5O2+ — CID 135975180

IUPACN-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(-c2c(F)c[n+](O)cc2F)c(-c2cccnc2)n1)C1CC1
InChIInChI=1S/C18H13F2N5O2/c19-12-8-25(27)9-13(20)15(12)17-16(11-2-1-5-21-6-11)23-14(7-22-17)24-18(26)10-3-4-10/h1-2,5-10,27H,3-4H2/p+1
InChIKeyOSYPUYFAWSUAIK-UHFFFAOYSA-O
MW370.34 g/mol
LogP2.36
Rot. Bonds4

About N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide

N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 135975180) has the molecular formula C18H14F2N5O2+ and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
PubChem CID135975180
Molecular FormulaC18H14F2N5O2+
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC NameN-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(-c2c(F)c[n+](O)cc2F)c(-c2cccnc2)n1)C1CC1
InChIInChI=1S/C18H13F2N5O2/c19-12-8-25(27)9-13(20)15(12)17-16(11-2-1-5-21-6-11)23-14(7-22-17)24-18(26)10-3-4-10/h1-2,5-10,27H,3-4H2/p+1
InChIKeyOSYPUYFAWSUAIK-UHFFFAOYSA-O
XLogP2.36
TPSA91.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 53321372
5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773853
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490
N-[5-(3-fluoro-4-pyridinyl)-6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]cyclopropanecarboxamide;N-[5-(3-fluoro-4-pyridinyl)-6-(6-oxo-1H-pyridin-3-yl)pyrazin-2-yl]cyclopropanecarboxamide
CID 69147803
2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid
CID 175242426
N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide
CID 164564726
2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide
CID 142796572
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319
2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
CID 59738062
N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide
CID 165134210
5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine;5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-amine
CID 69149581

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide (CID 135975180) is N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cnc(-c2c(F)c[n+](O)cc2F)c(-c2cccnc2)n1)C1CC1.
What is the InChIKey of N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is OSYPUYFAWSUAIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H13F2N5O2/c19-12-8-25(27)9-13(20)15(12)17-16(11-2-1-5-21-6-11)23-14(7-22-17)24-18(26)10-3-4-10/h1-2,5-10,27H,3-4H2/p+1.
What are the key properties of N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide?
N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 370.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluoro-1-hydroxypyridin-1-ium-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135975180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).