2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide

C25H19N5O2 — CID 10295715

IUPAC2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C25H19N5O2/c31-25(29-18-10-12-21(13-11-18)32-20-5-2-1-3-6-20)22-7-4-14-26-24(22)28-19-9-8-17-16-27-30-23(17)15-19/h1-16H,(H,26,28)(H,27,30)(H,29,31)
InChIKeyKLUSNPWIWPSUHY-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.75
Rot. Bonds6

About 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 10295715) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID10295715
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C25H19N5O2/c31-25(29-18-10-12-21(13-11-18)32-20-5-2-1-3-6-20)22-7-4-14-26-24(22)28-19-9-8-17-16-27-30-23(17)15-19/h1-16H,(H,26,28)(H,27,30)(H,29,31)
InChIKeyKLUSNPWIWPSUHY-UHFFFAOYSA-N
XLogP5.75
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 10295715) is 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is KLUSNPWIWPSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-25(29-18-10-12-21(13-11-18)32-20-5-2-1-3-6-20)22-7-4-14-26-24(22)28-19-9-8-17-16-27-30-23(17)15-19/h1-16H,(H,26,28)(H,27,30)(H,29,31).
What are the key properties of 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 5.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylamino)-N-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10295715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).