N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide

C25H20F3N5O3 — CID 155355625

IUPACN-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
SMILESCON(C)c1c(C(=O)NN2CCOc3ccccc32)cnc2c(-c3cc(F)cc(F)c3F)nccc12
InChIInChI=1S/C25H20F3N5O3/c1-32(35-2)24-15-7-8-29-23(16-11-14(26)12-18(27)21(16)28)22(15)30-13-17(24)25(34)31-33-9-10-36-20-6-4-3-5-19(20)33/h3-8,11-13H,9-10H2,1-2H3,(H,31,34)
InChIKeyIJIQLLQOIQUHHE-UHFFFAOYSA-N
MW495.46 g/mol
LogP4.26
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide (PubChem CID 155355625) has the molecular formula C25H20F3N5O3 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
PubChem CID155355625
Molecular FormulaC25H20F3N5O3
Molecular Weight495.46 g/mol
Exact Mass495.15
IUPAC NameN-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
SMILESCON(C)c1c(C(=O)NN2CCOc3ccccc32)cnc2c(-c3cc(F)cc(F)c3F)nccc12
InChIInChI=1S/C25H20F3N5O3/c1-32(35-2)24-15-7-8-29-23(16-11-14(26)12-18(27)21(16)28)22(15)30-13-17(24)25(34)31-33-9-10-36-20-6-4-3-5-19(20)33/h3-8,11-13H,9-10H2,1-2H3,(H,31,34)
InChIKeyIJIQLLQOIQUHHE-UHFFFAOYSA-N
XLogP4.26
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide (CID 155355625) is N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide is CON(C)c1c(C(=O)NN2CCOc3ccccc32)cnc2c(-c3cc(F)cc(F)c3F)nccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide?
The InChIKey is IJIQLLQOIQUHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O3/c1-32(35-2)24-15-7-8-29-23(16-11-14(26)12-18(27)21(16)28)22(15)30-13-17(24)25(34)31-33-9-10-36-20-6-4-3-5-19(20)33/h3-8,11-13H,9-10H2,1-2H3,(H,31,34).
What are the key properties of N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide has a molecular weight of 495.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 155355625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).