5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

C34H45N7O4 — CID 160651797

IUPAC5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)(C)c1ccnc2c1CCC(=O)N2.CC(C)(C)c1ccnc2c1CNC(=O)N2.CC(C)(C)c1ccnc2c1COC(=O)N2
InChIInChI=1S/C12H16N2O.C11H15N3O.C11H14N2O2/c1-12(2,3)9-6-7-13-11-8(9)4-5-10(15)14-11;1-11(2,3)8-4-5-12-9-7(8)6-13-10(15)14-9;1-11(2,3)8-4-5-12-9-7(8)6-15-10(14)13-9/h6-7H,4-5H2,1-3H3,(H,13,14,15);4-5H,6H2,1-3H3,(H2,12,13,14,15);4-5H,6H2,1-3H3,(H,12,13,14)
InChIKeyRKNFKYDMRAEWBU-UHFFFAOYSA-N
MW615.78 g/mol
LogP6.72
Rot. Bonds

About 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one

5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 160651797) has the molecular formula C34H45N7O4 and a molecular weight of 615.78 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID160651797
Molecular FormulaC34H45N7O4
Molecular Weight615.78 g/mol
Exact Mass615.35
IUPAC Name5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)(C)c1ccnc2c1CCC(=O)N2.CC(C)(C)c1ccnc2c1CNC(=O)N2.CC(C)(C)c1ccnc2c1COC(=O)N2
InChIInChI=1S/C12H16N2O.C11H15N3O.C11H14N2O2/c1-12(2,3)9-6-7-13-11-8(9)4-5-10(15)14-11;1-11(2,3)8-4-5-12-9-7(8)6-13-10(15)14-9;1-11(2,3)8-4-5-12-9-7(8)6-15-10(14)13-9/h6-7H,4-5H2,1-3H3,(H,13,14,15);4-5H,6H2,1-3H3,(H2,12,13,14,15);4-5H,6H2,1-3H3,(H,12,13,14)
InChIKeyRKNFKYDMRAEWBU-UHFFFAOYSA-N
XLogP6.72
TPSA147.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 56.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-5-[6-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
CID 178042303
(2S,5R)-5-amino-N-[(4R,7S)-11-amino-2-methyl-5-oxo-7-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)undecan-4-yl]-2-benzyl-4-oxo-6-phenylhexanamide
CID 177692300
Benzyl 3-methyl-2-oxo-2,2',3,3'-tetrahydro-1H,1'H-spiro[1,8-naphthyridine-4,4'-pyridine]-1'-carboxylate
CID 67440213
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
ethyl (E)-3-(1'-methyl-7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enoate;ethyl (E)-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enoate
CID 157764120
1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 158564314
1-[4-[[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone;1-[4-[[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]methoxy]piperidin-1-yl]ethanone
CID 159109425
(4-methylphenyl)methyl 4-[(3-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate;N-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 160937568
2,2-Dimethylpropane;ethane;piperidine-2,6-dione;5-propan-2-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one
CID 161043561
tert-butyl N-[(2R)-1-[[(2R)-1-[[(2R)-4-methyl-1-[[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 169193121
(2R)-N-[(2R)-6-amino-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 169193131
N-[6-amino-1-oxo-1-(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-yl)hexan-2-yl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 170172219

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one (CID 160651797) is 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is CC(C)(C)c1ccnc2c1CCC(=O)N2.CC(C)(C)c1ccnc2c1CNC(=O)N2.CC(C)(C)c1ccnc2c1COC(=O)N2.
What is the InChIKey of 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is RKNFKYDMRAEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C11H15N3O.C11H14N2O2/c1-12(2,3)9-6-7-13-11-8(9)4-5-10(15)14-11;1-11(2,3)8-4-5-12-9-7(8)6-13-10(15)14-9;1-11(2,3)8-4-5-12-9-7(8)6-15-10(14)13-9/h6-7H,4-5H2,1-3H3,(H,13,14,15);4-5H,6H2,1-3H3,(H2,12,13,14,15);4-5H,6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one?
5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 615.78 g/mol, XLogP of 6.72, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-tert-butyl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;5-tert-butyl-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 160651797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).