N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide

C27H32F3N5O3 — CID 151300260

IUPACN-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide
SMILESCc1c(Cn2cc(C(=O)NC(C)CN(C)C)c(=O)c3ncc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C27H32F3N5O3/c1-17(14-33(3)4)32-26(37)21-16-35(15-19-6-5-7-22(18(19)2)27(28,29)30)23-12-20(13-31-24(23)25(21)36)34-8-10-38-11-9-34/h5-7,12-13,16-17H,8-11,14-15H2,1-4H3,(H,32,37)
InChIKeyOCGSUUMJTQWETQ-UHFFFAOYSA-N
MW531.58 g/mol
LogP3.29
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide

N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 151300260) has the molecular formula C27H32F3N5O3 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID151300260
Molecular FormulaC27H32F3N5O3
Molecular Weight531.58 g/mol
Exact Mass531.25
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide
SMILESCc1c(Cn2cc(C(=O)NC(C)CN(C)C)c(=O)c3ncc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C27H32F3N5O3/c1-17(14-33(3)4)32-26(37)21-16-35(15-19-6-5-7-22(18(19)2)27(28,29)30)23-12-20(13-31-24(23)25(21)36)34-8-10-38-11-9-34/h5-7,12-13,16-17H,8-11,14-15H2,1-4H3,(H,32,37)
InChIKeyOCGSUUMJTQWETQ-UHFFFAOYSA-N
XLogP3.29
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide (CID 151300260) is N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide is Cc1c(Cn2cc(C(=O)NC(C)CN(C)C)c(=O)c3ncc(N4CCOCC4)cc32)cccc1C(F)(F)F.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is OCGSUUMJTQWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3/c1-17(14-33(3)4)32-26(37)21-16-35(15-19-6-5-7-22(18(19)2)27(28,29)30)23-12-20(13-31-24(23)25(21)36)34-8-10-38-11-9-34/h5-7,12-13,16-17H,8-11,14-15H2,1-4H3,(H,32,37).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 531.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-morpholin-4-yl-4-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 151300260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).