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

C23H23BrF3N5O2 — CID 156830722

IUPAC7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCO[C@@H]1CCCC[C@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H23BrF3N5O2/c1-34-19-5-3-2-4-18(19)32(12-16-7-6-15(11-29-16)23(25,26)27)22(33)14-8-13-9-17(24)20(28)31-21(13)30-10-14/h6-11,18-19H,2-5,12H2,1H3,(H2,28,30,31)/t18-,19-/m1/s1
InChIKeyMNIMNIXFHMBQNF-RTBURBONSA-N
MW538.37 g/mol
LogP4.99
Rot. Bonds5

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

7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156830722) has the molecular formula C23H23BrF3N5O2 and a molecular weight of 538.37 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID156830722
Molecular FormulaC23H23BrF3N5O2
Molecular Weight538.37 g/mol
Exact Mass537.10
IUPAC Name7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCO[C@@H]1CCCC[C@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H23BrF3N5O2/c1-34-19-5-3-2-4-18(19)32(12-16-7-6-15(11-29-16)23(25,26)27)22(33)14-8-13-9-17(24)20(28)31-21(13)30-10-14/h6-11,18-19H,2-5,12H2,1H3,(H2,28,30,31)/t18-,19-/m1/s1
InChIKeyMNIMNIXFHMBQNF-RTBURBONSA-N
XLogP4.99
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 156830722) is 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is CO[C@@H]1CCCC[C@H]1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cnc2nc(N)c(Br)cc2c1.
What is the InChIKey of 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is MNIMNIXFHMBQNF-RTBURBONSA-N. The full InChI is InChI=1S/C23H23BrF3N5O2/c1-34-19-5-3-2-4-18(19)32(12-16-7-6-15(11-29-16)23(25,26)27)22(33)14-8-13-9-17(24)20(28)31-21(13)30-10-14/h6-11,18-19H,2-5,12H2,1H3,(H2,28,30,31)/t18-,19-/m1/s1.
What are the key properties of 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 538.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156830722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).