N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide

C27H27FN4O5 — CID 164905012

IUPACN-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(C(C)C)c4=O)cc3F)c2nc1OC
InChIInChI=1S/C27H27FN4O5/c1-13(2)22-14(3)30-15(4)23(25(22)33)26(34)31-16-7-8-19(17(28)11-16)37-20-9-10-29-18-12-21(35-5)27(36-6)32-24(18)20/h7-13H,1-6H3,(H,30,33)(H,31,34)
InChIKeyHIVWTWBAPMRPHJ-UHFFFAOYSA-N
MW506.53 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide

N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 164905012) has the molecular formula C27H27FN4O5 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID164905012
Molecular FormulaC27H27FN4O5
Molecular Weight506.53 g/mol
Exact Mass506.20
IUPAC NameN-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(C(C)C)c4=O)cc3F)c2nc1OC
InChIInChI=1S/C27H27FN4O5/c1-13(2)22-14(3)30-15(4)23(25(22)33)26(34)31-16-7-8-19(17(28)11-16)37-20-9-10-29-18-12-21(35-5)27(36-6)32-24(18)20/h7-13H,1-6H3,(H,30,33)(H,31,34)
InChIKeyHIVWTWBAPMRPHJ-UHFFFAOYSA-N
XLogP5.26
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

5-N-cyclopropyl-3-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3,5-dicarboxamide
CID 164904962
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-methyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 156841076
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-6-(4-fluorophenyl)-2,3-dimethyl-5-oxopyridazine-4-carboxamide
CID 165373140
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-fluoro-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 165373132
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-(methoxymethyl)-6-methyl-5-(6-methyl-2-pyridinyl)-4-oxo-1H-pyridine-3-carboxamide
CID 156841031
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
CID 165373101
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(furan-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 156840982
5-bromo-N-[3-fluoro-4-[(7-hydroxy-6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
CID 156841013
1-(2,2-difluoroethyl)-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluoro-2-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 165373062
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-5-(4-fluorophenyl)-4-methoxy-2-(methoxymethyl)-6-methylpyridine-3-carboxamide
CID 165373099
N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 165373136
5-cyclopentyl-N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 164905096

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide (CID 164905012) is N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)[nH]c(C)c(C(C)C)c4=O)cc3F)c2nc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is HIVWTWBAPMRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O5/c1-13(2)22-14(3)30-15(4)23(25(22)33)26(34)31-16-7-8-19(17(28)11-16)37-20-9-10-29-18-12-21(35-5)27(36-6)32-24(18)20/h7-13H,1-6H3,(H,30,33)(H,31,34).
What are the key properties of N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide?
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2,6-dimethyl-4-oxo-5-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 164905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).