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

C26H17ClFN5O3 — CID 156871804

IUPACN-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ncc1Oc1ccnc2cnc(Cl)cc12
InChIInChI=1S/C26H17ClFN5O3/c1-15-11-24(31-14-22(15)36-21-8-9-29-20-13-30-23(27)12-19(20)21)32-25(34)18-3-2-10-33(26(18)35)17-6-4-16(28)5-7-17/h2-14H,1H3,(H,31,32,34)
InChIKeyVHFJKLHXRPWOMH-UHFFFAOYSA-N
MW501.91 g/mol
LogP5.32
Rot. Bonds5

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

N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 156871804) has the molecular formula C26H17ClFN5O3 and a molecular weight of 501.91 g/mol. Its IUPAC name is N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID156871804
Molecular FormulaC26H17ClFN5O3
Molecular Weight501.91 g/mol
Exact Mass501.10
IUPAC NameN-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ncc1Oc1ccnc2cnc(Cl)cc12
InChIInChI=1S/C26H17ClFN5O3/c1-15-11-24(31-14-22(15)36-21-8-9-29-20-13-30-23(27)12-19(20)21)32-25(34)18-3-2-10-33(26(18)35)17-6-4-16(28)5-7-17/h2-14H,1H3,(H,31,32,34)
InChIKeyVHFJKLHXRPWOMH-UHFFFAOYSA-N
XLogP5.32
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.91
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
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-[3-methyl-4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871762
N-[4-[(6-chloro-1,7-naphthyridin-4-yl)amino]phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 156871819
N-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 46852479
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
1-(4-fluorophenyl)-2-oxo-N-[4-[(2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]pyridine-3-carboxamide
CID 71678236
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-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 139511736
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 156871804) is N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)ncc1Oc1ccnc2cnc(Cl)cc12.
What is the InChIKey of N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is VHFJKLHXRPWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN5O3/c1-15-11-24(31-14-22(15)36-21-8-9-29-20-13-30-23(27)12-19(20)21)32-25(34)18-3-2-10-33(26(18)35)17-6-4-16(28)5-7-17/h2-14H,1H3,(H,31,32,34).
What are the key properties of N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 501.91 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-chloro-1,7-naphthyridin-4-yl)oxy]-4-methyl-2-pyridinyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 156871804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).