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

C24H25FN6O5 — CID 11605675

IUPACN-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCOc1ccc2ncc(F)c(CCN3C[C@H](CNC(=O)c4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2n1
InChIInChI=1S/C24H25FN6O5/c1-35-21-5-3-16-22(30-21)14(15(25)9-26-16)6-7-31-10-13(18(32)11-31)8-27-24(34)17-2-4-19-23(28-17)29-20(33)12-36-19/h2-5,9,13,18,32H,6-8,10-12H2,1H3,(H,27,34)(H,28,29,33)/t13-,18+/m0/s1
InChIKeyPHBJPXOVFMFBMC-SCLBCKFNSA-N
MW496.50 g/mol
LogP0.77
Rot. Bonds7

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

N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (PubChem CID 11605675) has the molecular formula C24H25FN6O5 and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
PubChem CID11605675
Molecular FormulaC24H25FN6O5
Molecular Weight496.50 g/mol
Exact Mass496.19
IUPAC NameN-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
SMILESCOc1ccc2ncc(F)c(CCN3C[C@H](CNC(=O)c4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2n1
InChIInChI=1S/C24H25FN6O5/c1-35-21-5-3-16-22(30-21)14(15(25)9-26-16)6-7-31-10-13(18(32)11-31)8-27-24(34)17-2-4-19-23(28-17)29-20(33)12-36-19/h2-5,9,13,18,32H,6-8,10-12H2,1H3,(H,27,34)(H,28,29,33)/t13-,18+/m0/s1
InChIKeyPHBJPXOVFMFBMC-SCLBCKFNSA-N
XLogP0.77
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The IUPAC name of N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide (CID 11605675) is N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is COc1ccc2ncc(F)c(CCN3C[C@H](CNC(=O)c4ccc5c(n4)NC(=O)CO5)[C@H](O)C3)c2n1.
What is the InChIKey of N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
The InChIKey is PHBJPXOVFMFBMC-SCLBCKFNSA-N. The full InChI is InChI=1S/C24H25FN6O5/c1-35-21-5-3-16-22(30-21)14(15(25)9-26-16)6-7-31-10-13(18(32)11-31)8-27-24(34)17-2-4-19-23(28-17)29-20(33)12-36-19/h2-5,9,13,18,32H,6-8,10-12H2,1H3,(H,27,34)(H,28,29,33)/t13-,18+/m0/s1.
What are the key properties of N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide?
N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 11605675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).