5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C17H11F6N5O — CID 44589038

IUPAC5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESNc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1
InChIInChI=1S/C17H11F6N5O/c18-16(19,20)13-6-14(17(21,22)23)28(27-13)12-3-1-11(2-4-12)26-15(29)9-5-10(24)8-25-7-9/h1-8H,24H2,(H,26,29)
InChIKeyCAHUBNSLSZABNQ-UHFFFAOYSA-N
MW415.30 g/mol
LogP4.14
Rot. Bonds3

About 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 44589038) has the molecular formula C17H11F6N5O and a molecular weight of 415.30 g/mol. Its IUPAC name is 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID44589038
Molecular FormulaC17H11F6N5O
Molecular Weight415.30 g/mol
Exact Mass415.09
IUPAC Name5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESNc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1
InChIInChI=1S/C17H11F6N5O/c18-16(19,20)13-6-14(17(21,22)23)28(27-13)12-3-1-11(2-4-12)26-15(29)9-5-10(24)8-25-7-9/h1-8H,24H2,(H,26,29)
InChIKeyCAHUBNSLSZABNQ-UHFFFAOYSA-N
XLogP4.14
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 44589038) is 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is Nc1cncc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.
What is the InChIKey of 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is CAHUBNSLSZABNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N5O/c18-16(19,20)13-6-14(17(21,22)23)28(27-13)12-3-1-11(2-4-12)26-15(29)9-5-10(24)8-25-7-9/h1-8H,24H2,(H,26,29).
What are the key properties of 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 415.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44589038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).