tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine

C18H26ClN5O2 — CID 144847195

IUPACtert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1cnc2ccc(Cl)nc2c1N
InChIInChI=1S/C10H19NO2.C8H7ClN4/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;9-6-2-1-5-8(13-6)7(11)4(10)3-12-5/h4-8H2,1-3H3;1-3H,10H2,(H2,11,12)
InChIKeyPCUNAFCQYXTKIH-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.86
Rot. Bonds

About tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine

tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine (PubChem CID 144847195) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine.

Molecular Properties

Compound Nametert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
PubChem CID144847195
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Nametert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1cnc2ccc(Cl)nc2c1N
InChIInChI=1S/C10H19NO2.C8H7ClN4/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;9-6-2-1-5-8(13-6)7(11)4(10)3-12-5/h4-8H2,1-3H3;1-3H,10H2,(H2,11,12)
InChIKeyPCUNAFCQYXTKIH-UHFFFAOYSA-N
XLogP3.86
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-[(3-amino-6-chloro-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate
CID 118101718
tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine
CID 153398411
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 7-(6-chloropyrido[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 171852835
tert-butyl 3-(2-amino-6-chloropyrido[3,2-d]pyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 175342359
tert-butyl (3S)-3-(6-chloropyrido[3,2-d]pyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 141379326
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl 4-(6-chloro-1,5-naphthyridin-3-yl)piperazine-1-carboxylate;2-chloro-7-iodo-1,5-naphthyridine;methane
CID 160523979
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl pyrrolidine-1-carboxylate;6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;methanamine
CID 144836200

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine?
The IUPAC name of tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine (CID 144847195) is tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine.
What is the SMILES notation for tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine?
The canonical SMILES for tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine is CC(C)(C)OC(=O)N1CCCCC1.Nc1cnc2ccc(Cl)nc2c1N.
What is the InChIKey of tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine?
The InChIKey is PCUNAFCQYXTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C8H7ClN4/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;9-6-2-1-5-8(13-6)7(11)4(10)3-12-5/h4-8H2,1-3H3;1-3H,10H2,(H2,11,12).
What are the key properties of tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine?
tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine has a molecular weight of 379.89 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine is sourced from PubChem (CID 144847195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).