7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

C23H20F3N7O — CID 156830217

IUPAC7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H](C)c3ncccn3)cnc2nc1N
InChIInChI=1S/C23H20F3N7O/c1-13-8-15-9-16(10-31-21(15)32-19(13)27)22(34)33(14(2)20-28-6-3-7-29-20)12-18-5-4-17(11-30-18)23(24,25)26/h3-11,14H,12H2,1-2H3,(H2,27,31,32)/t14-/m1/s1
InChIKeyZBECLOIHHUMJIU-CQSZACIVSA-N
MW467.46 g/mol
LogP4.13
Rot. Bonds5

About 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156830217) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID156830217
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H](C)c3ncccn3)cnc2nc1N
InChIInChI=1S/C23H20F3N7O/c1-13-8-15-9-16(10-31-21(15)32-19(13)27)22(34)33(14(2)20-28-6-3-7-29-20)12-18-5-4-17(11-30-18)23(24,25)26/h3-11,14H,12H2,1-2H3,(H2,27,31,32)/t14-/m1/s1
InChIKeyZBECLOIHHUMJIU-CQSZACIVSA-N
XLogP4.13
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 156830217) is 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@H](C)c3ncccn3)cnc2nc1N.
What is the InChIKey of 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZBECLOIHHUMJIU-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-13-8-15-9-16(10-31-21(15)32-19(13)27)22(34)33(14(2)20-28-6-3-7-29-20)12-18-5-4-17(11-30-18)23(24,25)26/h3-11,14H,12H2,1-2H3,(H2,27,31,32)/t14-/m1/s1.
What are the key properties of 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156830217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).