N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C31H28N6O3 — CID 156871762

IUPACN-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccnc2cnc(N3CCNCC3)cc12
InChIInChI=1S/C31H28N6O3/c1-21-18-22(35-30(38)24-8-5-15-37(31(24)39)23-6-3-2-4-7-23)9-10-27(21)40-28-11-12-33-26-20-34-29(19-25(26)28)36-16-13-32-14-17-36/h2-12,15,18-20,32H,13-14,16-17H2,1H3,(H,35,38)
InChIKeyPUYULZQBZKZVPW-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.54
Rot. Bonds6

About N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide

N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 156871762) has the molecular formula C31H28N6O3 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID156871762
Molecular FormulaC31H28N6O3
Molecular Weight532.60 g/mol
Exact Mass532.22
IUPAC NameN-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccnc2cnc(N3CCNCC3)cc12
InChIInChI=1S/C31H28N6O3/c1-21-18-22(35-30(38)24-8-5-15-37(31(24)39)23-6-3-2-4-7-23)9-10-27(21)40-28-11-12-33-26-20-34-29(19-25(26)28)36-16-13-32-14-17-36/h2-12,15,18-20,32H,13-14,16-17H2,1H3,(H,35,38)
InChIKeyPUYULZQBZKZVPW-UHFFFAOYSA-N
XLogP4.54
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-oxo-1-phenyl-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 156871709
1-(4-fluorophenyl)-N-[4-[[6-(4-methylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 156871742
N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871849
N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871804
1-ethyl-3-(4-fluorophenyl)-2,4-dioxo-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]pyrimidine-5-carboxamide;vanadium
CID 156871697
N-[4-[(6-chloro-1,7-naphthyridin-4-yl)amino]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871819
2-oxo-1-phenyl-N-[4-[[6-(1H-pyrazol-4-yl)-1,7-naphthyridin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 166779716
1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 156871776
N-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-2-oxo-1-(2-oxo-1H-pyridin-4-yl)pyridine-3-carboxamide
CID 156841203
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
N-[3-fluoro-4-[6-methoxy-7-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]methoxy]quinolin-4-yl]oxyphenyl]-1-(2-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 141375484
N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 46852479

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 156871762) is N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccnc2cnc(N3CCNCC3)cc12.
What is the InChIKey of N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is PUYULZQBZKZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O3/c1-21-18-22(35-30(38)24-8-5-15-37(31(24)39)23-6-3-2-4-7-23)9-10-27(21)40-28-11-12-33-26-20-34-29(19-25(26)28)36-16-13-32-14-17-36/h2-12,15,18-20,32H,13-14,16-17H2,1H3,(H,35,38).
What are the key properties of N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 156871762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).