tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate

C16H19N3O2 — CID 146330523

IUPACtert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc3ccncc3nc2C1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-7-5-12-8-11-4-6-17-9-13(11)18-14(12)10-19/h4,6,8-9H,5,7,10H2,1-3H3
InChIKeyYZFQEBUPMDGFPT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.92
Rot. Bonds

About tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate

tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate (PubChem CID 146330523) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate
PubChem CID146330523
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nametert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc3ccncc3nc2C1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-7-5-12-8-11-4-6-17-9-13(11)18-14(12)10-19/h4,6,8-9H,5,7,10H2,1-3H3
InChIKeyYZFQEBUPMDGFPT-UHFFFAOYSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 153399168
CID 153399168
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 83920680
tert-butyl 7-(1,7-naphthyridin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 177053071
tert-butyl 3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxylate
CID 71711052
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
tert-butyl 2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 124518676
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
tert-butyl 3-ethyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;carbon dioxide
CID 160686710
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl 2-chloro-4-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59239147
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887
tert-butyl 2-[(4-chloro-2-fluorophenyl)methylamino]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 175910597

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate?
The IUPAC name of tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate (CID 146330523) is tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate?
The canonical SMILES for tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate is CC(C)(C)OC(=O)N1CCc2cc3ccncc3nc2C1.
What is the InChIKey of tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate?
The InChIKey is YZFQEBUPMDGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-7-5-12-8-11-4-6-17-9-13(11)18-14(12)10-19/h4,6,8-9H,5,7,10H2,1-3H3.
What are the key properties of tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate?
tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-dihydro-1H-pyrido[3,4-b][1,7]naphthyridine-2-carboxylate is sourced from PubChem (CID 146330523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).