N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

C25H27FN6O4 — CID 15940240

IUPACN-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCOc1ccc2ncc(F)c(CCN3CCC(N(C)C(=O)c4ccc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C25H27FN6O4/c1-31(25(34)19-3-5-20-24(28-19)29-21(33)14-36-20)15-7-10-32(11-8-15)12-9-16-17(26)13-27-18-4-6-22(35-2)30-23(16)18/h3-6,13,15H,7-12,14H2,1-2H3,(H,28,29,33)
InChIKeyZMABAOCFLMLVKP-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.28
Rot. Bonds6

About N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide

N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 15940240) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID15940240
Molecular FormulaC25H27FN6O4
Molecular Weight494.53 g/mol
Exact Mass494.21
IUPAC NameN-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCOc1ccc2ncc(F)c(CCN3CCC(N(C)C(=O)c4ccc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C25H27FN6O4/c1-31(25(34)19-3-5-20-24(28-19)29-21(33)14-36-20)15-7-10-32(11-8-15)12-9-16-17(26)13-27-18-4-6-22(35-2)30-23(16)18/h3-6,13,15H,7-12,14H2,1-2H3,(H,28,29,33)
InChIKeyZMABAOCFLMLVKP-UHFFFAOYSA-N
XLogP2.28
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 15940240) is N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is COc1ccc2ncc(F)c(CCN3CCC(N(C)C(=O)c4ccc5c(n4)NC(=O)CO5)CC3)c2n1.
What is the InChIKey of N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is ZMABAOCFLMLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O4/c1-31(25(34)19-3-5-20-24(28-19)29-21(33)14-36-20)15-7-10-32(11-8-15)12-9-16-17(26)13-27-18-4-6-22(35-2)30-23(16)18/h3-6,13,15H,7-12,14H2,1-2H3,(H,28,29,33).
What are the key properties of N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-N-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 15940240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).