6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

C28H21F2N5O2 — CID 167335585

IUPAC6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cc2cc(-c3ccc(F)cc3)cnc2n(Cc2ncccn2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C28H21F2N5O2/c1-17(18-3-7-22(29)8-4-18)34-27(36)24-14-20-13-21(19-5-9-23(30)10-6-19)15-33-26(20)35(28(24)37)16-25-31-11-2-12-32-25/h2-15,17H,16H2,1H3,(H,34,36)
InChIKeySABUKFKFAMIUGE-UHFFFAOYSA-N
MW497.51 g/mol
LogP4.67
Rot. Bonds6

About 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 167335585) has the molecular formula C28H21F2N5O2 and a molecular weight of 497.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID167335585
Molecular FormulaC28H21F2N5O2
Molecular Weight497.51 g/mol
Exact Mass497.17
IUPAC Name6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1cc2cc(-c3ccc(F)cc3)cnc2n(Cc2ncccn2)c1=O)c1ccc(F)cc1
InChIInChI=1S/C28H21F2N5O2/c1-17(18-3-7-22(29)8-4-18)34-27(36)24-14-20-13-21(19-5-9-23(30)10-6-19)15-33-26(20)35(28(24)37)16-25-31-11-2-12-32-25/h2-15,17H,16H2,1H3,(H,34,36)
InChIKeySABUKFKFAMIUGE-UHFFFAOYSA-N
XLogP4.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dalpiciclib
CID 86279927
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64
CID 5330250
8-cyclohexyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330256
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
Pyrido-[2,3-d]-pyrimidin-7-one 42
CID 5330285
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 27
CID 5330354
N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
N-(3-(5-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)acrylamide
CID 78318941

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide (CID 167335585) is 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cc2cc(-c3ccc(F)cc3)cnc2n(Cc2ncccn2)c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is SABUKFKFAMIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N5O2/c1-17(18-3-7-22(29)8-4-18)34-27(36)24-14-20-13-21(19-5-9-23(30)10-6-19)15-33-26(20)35(28(24)37)16-25-31-11-2-12-32-25/h2-15,17H,16H2,1H3,(H,34,36).
What are the key properties of 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-2-oxo-1-(pyrimidin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).