tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C16H25N3O2 — CID 25417828

IUPACtert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCN)nc21
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-5-6-12-8-9-13(7-4-10-17)18-14(12)19/h8-9H,4-7,10-11,17H2,1-3H3
InChIKeyOFEIZXQEHYYUPC-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.66
Rot. Bonds3

About tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 25417828) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID25417828
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCN)nc21
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-5-6-12-8-9-13(7-4-10-17)18-14(12)19/h8-9H,4-7,10-11,17H2,1-3H3
InChIKeyOFEIZXQEHYYUPC-UHFFFAOYSA-N
XLogP2.66
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
CID 146018719
methyl N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]carbamate
CID 155511688
1-[5-(2,3-Dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-3-methylurea
CID 155533062
1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115
3-(5-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-pentanoylamino)-propionic acid
CID 9901104
1-(2-Isopropylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887092
3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
CID 9877599
tert-Butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
CID 10355702
tert-Butyl 7-methyl-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
CID 17750173
7-Methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 22319466
tert-Butyl (4,6-dimethylpyridin-2-yl)carbamate
CID 54577218
4-Cyclohexyl-1,7-diethylpyrido[2,3-d]pyrimidin-2-one
CID 9925883

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 25417828) is tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2ccc(CCCN)nc21.
What is the InChIKey of tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is OFEIZXQEHYYUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-11-5-6-12-8-9-13(7-4-10-17)18-14(12)19/h8-9H,4-7,10-11,17H2,1-3H3.
What are the key properties of tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(3-aminopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 25417828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).