5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide

C24H18F3N5O2 — CID 118392439

IUPAC5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C24H18F3N5O2/c1-32-10-9-19(31-32)17-11-15(7-8-18(17)24(25,26)27)23(34)30-20-12-16(22(28)33)13-29-21(20)14-5-3-2-4-6-14/h2-13H,1H3,(H2,28,33)(H,30,34)
InChIKeyATLNHWLHOWOCPK-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.52
Rot. Bonds5

About 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide

5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide (PubChem CID 118392439) has the molecular formula C24H18F3N5O2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide
PubChem CID118392439
Molecular FormulaC24H18F3N5O2
Molecular Weight465.44 g/mol
Exact Mass465.14
IUPAC Name5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C24H18F3N5O2/c1-32-10-9-19(31-32)17-11-15(7-8-18(17)24(25,26)27)23(34)30-20-12-16(22(28)33)13-29-21(20)14-5-3-2-4-6-14/h2-13H,1H3,(H2,28,33)(H,30,34)
InChIKeyATLNHWLHOWOCPK-UHFFFAOYSA-N
XLogP4.52
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide?
The IUPAC name of 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide (CID 118392439) is 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3cc(C(N)=O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide?
The InChIKey is ATLNHWLHOWOCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2/c1-32-10-9-19(31-32)17-11-15(7-8-18(17)24(25,26)27)23(34)30-20-12-16(22(28)33)13-29-21(20)14-5-3-2-4-6-14/h2-13H,1H3,(H2,28,33)(H,30,34).
What are the key properties of 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide?
5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide has a molecular weight of 465.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 118392439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).