1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide

C22H15F3N4O2 — CID 56834955

IUPAC1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21
InChIInChI=1S/C22H15F3N4O2/c1-29-12-16(19(30)15-11-26-10-9-17(15)29)21(31)28-18-8-7-14(13-5-3-2-4-6-13)20(27-18)22(23,24)25/h2-12H,1H3,(H,27,28,31)
InChIKeyKGYARUOCLANHTR-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.27
Rot. Bonds3

About 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide

1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide (PubChem CID 56834955) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
PubChem CID56834955
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC Name1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21
InChIInChI=1S/C22H15F3N4O2/c1-29-12-16(19(30)15-11-26-10-9-17(15)29)21(31)28-18-8-7-14(13-5-3-2-4-6-13)20(27-18)22(23,24)25/h2-12H,1H3,(H,27,28,31)
InChIKeyKGYARUOCLANHTR-UHFFFAOYSA-N
XLogP4.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
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N-{4-[(6-Oxo-5,6-Dihydrobenzo[c][1,8]naphthyridin-1-Yl)amino]phenyl}benzamide
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N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
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CID 9913339
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
2,4-Diamino-5-ketopyrimidine 20
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Jnk-IN-2
CID 57340680
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CID 138377600

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide (CID 56834955) is 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21.
What is the InChIKey of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
The InChIKey is KGYARUOCLANHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-29-12-16(19(30)15-11-26-10-9-17(15)29)21(31)28-18-8-7-14(13-5-3-2-4-6-13)20(27-18)22(23,24)25/h2-12H,1H3,(H,27,28,31).
What are the key properties of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide?
1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 56834955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).