4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide

C16H14FN5O2 — CID 154793582

IUPAC4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3[nH]ncc3F)nc2)c1
InChIInChI=1S/C16H14FN5O2/c1-24-12-4-2-3-10(7-12)20-11-5-6-14(18-8-11)21-16(23)15-13(17)9-19-22-15/h2-9,20H,1H3,(H,19,22)(H,18,21,23)
InChIKeyXRXAWRRDOIXQEM-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.95
Rot. Bonds5

About 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide

4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide (PubChem CID 154793582) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide
PubChem CID154793582
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3[nH]ncc3F)nc2)c1
InChIInChI=1S/C16H14FN5O2/c1-24-12-4-2-3-10(7-12)20-11-5-6-14(18-8-11)21-16(23)15-13(17)9-19-22-15/h2-9,20H,1H3,(H,19,22)(H,18,21,23)
InChIKeyXRXAWRRDOIXQEM-UHFFFAOYSA-N
XLogP2.95
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide (CID 154793582) is 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide is COc1cccc(Nc2ccc(NC(=O)c3[nH]ncc3F)nc2)c1.
What is the InChIKey of 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XRXAWRRDOIXQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-12-4-2-3-10(7-12)20-11-5-6-14(18-8-11)21-16(23)15-13(17)9-19-22-15/h2-9,20H,1H3,(H,19,22)(H,18,21,23).
What are the key properties of 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide?
4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154793582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).