tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C15H20N6O2 — CID 101342180

IUPACtert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCc1ncc2c(c1-c1nn[nH]n1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H20N6O2/c1-9-12(13-17-19-20-18-13)11-5-6-21(8-10(11)7-16-9)14(22)23-15(2,3)4/h7H,5-6,8H2,1-4H3,(H,17,18,19,20)
InChIKeyCCHVSZQQVFNCOV-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.86
Rot. Bonds1

About tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 101342180) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID101342180
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Nametert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCc1ncc2c(c1-c1nn[nH]n1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H20N6O2/c1-9-12(13-17-19-20-18-13)11-5-6-21(8-10(11)7-16-9)14(22)23-15(2,3)4/h7H,5-6,8H2,1-4H3,(H,17,18,19,20)
InChIKeyCCHVSZQQVFNCOV-UHFFFAOYSA-N
XLogP1.86
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 83844719
tert-butyl 3-ethoxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 118570120
tert-butyl 2-(4-carbamoylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 118174370
tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane
CID 144973709
tert-butyl 6-amino-5,7-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 167387612
tert-butyl 5-(5-carbamoyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 174431028
tert-butyl 2-(6-bromo-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 175639913
tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate
CID 23019436
tert-butyl 5-oxo-1,3,4,6-tetrahydro-2,6-naphthyridine-2-carboxylate
CID 45480473
tert-butyl 5-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67376135
tert-butyl 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 161113492
tert-butyl 2-[4-[2-(4-chlorophenyl)ethyl]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 126618836

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 101342180) is tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is Cc1ncc2c(c1-c1nn[nH]n1)CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is CCHVSZQQVFNCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9-12(13-17-19-20-18-13)11-5-6-21(8-10(11)7-16-9)14(22)23-15(2,3)4/h7H,5-6,8H2,1-4H3,(H,17,18,19,20).
What are the key properties of tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 316.37 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methyl-5-(2H-tetrazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 101342180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).