1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide

C31H27FN6O4 — CID 156871776

IUPAC1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCN1CCC(Oc2cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)nc4)ccnc3cn2)CC1
InChIInChI=1S/C31H27FN6O4/c1-37-15-11-22(12-16-37)42-29-17-25-26(19-35-29)33-13-10-27(25)41-23-8-9-28(34-18-23)36-30(39)24-3-2-14-38(31(24)40)21-6-4-20(32)5-7-21/h2-10,13-14,17-19,22H,11-12,15-16H2,1H3,(H,34,36,39)
InChIKeyDYPWAVPJMVFYAM-UHFFFAOYSA-N
MW566.59 g/mol
LogP4.83
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide (PubChem CID 156871776) has the molecular formula C31H27FN6O4 and a molecular weight of 566.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
PubChem CID156871776
Molecular FormulaC31H27FN6O4
Molecular Weight566.59 g/mol
Exact Mass566.21
IUPAC Name1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCN1CCC(Oc2cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)nc4)ccnc3cn2)CC1
InChIInChI=1S/C31H27FN6O4/c1-37-15-11-22(12-16-37)42-29-17-25-26(19-35-29)33-13-10-27(25)41-23-8-9-28(34-18-23)36-30(39)24-3-2-14-38(31(24)40)21-6-4-20(32)5-7-21/h2-10,13-14,17-19,22H,11-12,15-16H2,1H3,(H,34,36,39)
InChIKeyDYPWAVPJMVFYAM-UHFFFAOYSA-N
XLogP4.83
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-fluorophenyl)-N-[4-[[6-(4-methylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 156871742
N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871804
N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871849
4-[[6-[[1-(4-fluorophenyl)-2-oxo-5-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-piperidin-4-yl-1,7-naphthyridine-6-carboxamide
CID 156871690
4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide
CID 156871758
4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
CID 156871685
1-ethyl-N-[4-[[6-[2-[1-(4-iodophenyl)-2-oxo-3-pyridinyl]-2-oxoethanimidoyl]-3-pyridinyl]oxy]-1,7-naphthyridin-6-yl]piperidine-4-carboximidamide
CID 156871814
1-(4-fluorophenyl)-N-[6-methyl-5-[[2-methyl-3-[(Z)-2-(methylideneamino)-3-[(1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 166779770
N-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871762
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 44516532
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-5-carboxamide
CID 166209151
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
CID 139336947

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 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) is 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide is CN1CCC(Oc2cc3c(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)nc4)ccnc3cn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DYPWAVPJMVFYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN6O4/c1-37-15-11-22(12-16-37)42-29-17-25-26(19-35-29)33-13-10-27(25)41-23-8-9-28(34-18-23)36-30(39)24-3-2-14-38(31(24)40)21-6-4-20(32)5-7-21/h2-10,13-14,17-19,22H,11-12,15-16H2,1H3,(H,34,36,39).
What are the key properties of 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide has a molecular weight of 566.59 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 156871776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).