5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

C17H16N4O3 — CID 123633253

IUPAC5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCc1cc(Cc2ccnc3c2CCC(=O)N3)nc2c1COC(=O)N2
InChIInChI=1S/C17H16N4O3/c1-9-6-11(19-16-13(9)8-24-17(23)21-16)7-10-4-5-18-15-12(10)2-3-14(22)20-15/h4-6H,2-3,7-8H2,1H3,(H,18,20,22)(H,19,21,23)
InChIKeyKKDLPYCFWXPNPU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.32
Rot. Bonds2

About 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one

5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (PubChem CID 123633253) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
PubChem CID123633253
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
SMILESCc1cc(Cc2ccnc3c2CCC(=O)N3)nc2c1COC(=O)N2
InChIInChI=1S/C17H16N4O3/c1-9-6-11(19-16-13(9)8-24-17(23)21-16)7-10-4-5-18-15-12(10)2-3-14(22)20-15/h4-6H,2-3,7-8H2,1H3,(H,18,20,22)(H,19,21,23)
InChIKeyKKDLPYCFWXPNPU-UHFFFAOYSA-N
XLogP2.32
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one with MolForge

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Related Compounds

(3R)-3-(6-methoxy-3-pyridinyl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
CID 42607047
(S)-3-(6-Methoxy-pyridin-3-yl)-3-[methyl-(5-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl-pentanoyl)-amino]-propionic acid methyl ester
CID 44266092
(S)-3-(6-Methoxy-pyridin-3-yl)-3-{methyl-[5-(3-vinyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-amino}-propionic acid methyl ester
CID 44266157
(S)-3-(6-Methoxy-pyridin-3-yl)-3-{methyl-[5-(3-methyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-amino}-propionic acid methyl ester
CID 44266189
(S)-3-(6-Methoxy-pyridin-3-yl)-3-{methyl-[5-(3-phenyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-amino}-propionic acid methyl ester
CID 44266208
Ethyl 5-amino-2-methyl-4-pyridin-3-yl-1,4,6,7,8,9-hexahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 42618137
Ethyl 5-amino-2-methyl-4-pyridin-4-yl-1,4,6,7,8,9-hexahydrobenzo[b][1,8]naphthyridine-3-carboxylate
CID 42618138
ethyl 4-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 56953069
6-[5-[(1-acetylpiperidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117666954
3-(8-Carbamoyl-5,6,7,8-tetrahydro-[1,8]naphthyridin-3-yl)-isonicotinic acid methyl ester
CID 117667318
6-[4-(methoxymethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667777
trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344393

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The IUPAC name of 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one (CID 123633253) is 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The canonical SMILES for 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is Cc1cc(Cc2ccnc3c2CCC(=O)N3)nc2c1COC(=O)N2.
What is the InChIKey of 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
The InChIKey is KKDLPYCFWXPNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-9-6-11(19-16-13(9)8-24-17(23)21-16)7-10-4-5-18-15-12(10)2-3-14(22)20-15/h4-6H,2-3,7-8H2,1H3,(H,18,20,22)(H,19,21,23).
What are the key properties of 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one?
5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one has a molecular weight of 324.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)methyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 123633253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).