6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

C21H13F3N4O — CID 109164848

IUPAC6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C21H13F3N4O/c22-14-7-8-15(19(24)18(14)23)28-21(29)13-6-9-17(26-11-13)27-16-5-1-3-12-4-2-10-25-20(12)16/h1-11H,(H,26,27)(H,28,29)
InChIKeyGVHAYHQOPADVRN-UHFFFAOYSA-N
MW394.36 g/mol
LogP5.04
Rot. Bonds4

About 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide

6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 109164848) has the molecular formula C21H13F3N4O and a molecular weight of 394.36 g/mol. Its IUPAC name is 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
PubChem CID109164848
Molecular FormulaC21H13F3N4O
Molecular Weight394.36 g/mol
Exact Mass394.10
IUPAC Name6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C21H13F3N4O/c22-14-7-8-15(19(24)18(14)23)28-21(29)13-6-9-17(26-11-13)27-16-5-1-3-12-4-2-10-25-20(12)16/h1-11H,(H,26,27)(H,28,29)
InChIKeyGVHAYHQOPADVRN-UHFFFAOYSA-N
XLogP5.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462
6-(3-acetylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164464
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068

Frequently Asked Questions

What is the IUPAC name of 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide (CID 109164848) is 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(Nc2cccc3cccnc23)nc1.
What is the InChIKey of 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is GVHAYHQOPADVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O/c22-14-7-8-15(19(24)18(14)23)28-21(29)13-6-9-17(26-11-13)27-16-5-1-3-12-4-2-10-25-20(12)16/h1-11H,(H,26,27)(H,28,29).
What are the key properties of 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide?
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).