N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide

C21H13F6N7O — CID 58645777

IUPACN-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C21H13F6N7O/c1-28-18(35)15-5-3-12(21(25,26)27)16(32-15)14-4-2-11-13(6-7-29-17(11)33-14)34-19-30-8-10(9-31-19)20(22,23)24/h2-9H,1H3,(H,28,35)(H,29,30,31,33,34)
InChIKeyXNOKHPRMDZYRKH-UHFFFAOYSA-N
MW493.37 g/mol
LogP4.62
Rot. Bonds4

About N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide

N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide (PubChem CID 58645777) has the molecular formula C21H13F6N7O and a molecular weight of 493.37 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide
PubChem CID58645777
Molecular FormulaC21H13F6N7O
Molecular Weight493.37 g/mol
Exact Mass493.11
IUPAC NameN-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C21H13F6N7O/c1-28-18(35)15-5-3-12(21(25,26)27)16(32-15)14-4-2-11-13(6-7-29-17(11)33-14)34-19-30-8-10(9-31-19)20(22,23)24/h2-9H,1H3,(H,28,35)(H,29,30,31,33,34)
InChIKeyXNOKHPRMDZYRKH-UHFFFAOYSA-N
XLogP4.62
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(5-chlorothiadiazol-4-yl)-N-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-naphthyridin-4-amine
CID 59705064
5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile
CID 58645555
6-[5-[[4-(2,2-dimethylcyclopropyl)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 143215454
ethane;5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-3-carbonitrile
CID 143215429
5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
CID 58645766
5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]-1H-pyrimidin-2-one
CID 59762761
7-(4-chloro-1,2,5-thiadiazol-3-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 59705056
2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 146516153
7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 143270366
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate
CID 87303226
2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide
CID 87303490

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide (CID 58645777) is N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)n1.
What is the InChIKey of N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide?
The InChIKey is XNOKHPRMDZYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N7O/c1-28-18(35)15-5-3-12(21(25,26)27)16(32-15)14-4-2-11-13(6-7-29-17(11)33-14)34-19-30-8-10(9-31-19)20(22,23)24/h2-9H,1H3,(H,28,35)(H,29,30,31,33,34).
What are the key properties of N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide?
N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 493.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 58645777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).