tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate

C19H26N4O3 — CID 168978985

IUPACtert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate
SMILESCN(c1cnc2[nH]c(=O)ccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)23-9-7-14(8-10-23)22(4)15-11-13-5-6-16(24)21-17(13)20-12-15/h5-6,11-12,14H,7-10H2,1-4H3,(H,20,21,24)
InChIKeyOAIGEEPWPBWVAO-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate (PubChem CID 168978985) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate
PubChem CID168978985
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate
SMILESCN(c1cnc2[nH]c(=O)ccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)23-9-7-14(8-10-23)22(4)15-11-13-5-6-16(24)21-17(13)20-12-15/h5-6,11-12,14H,7-10H2,1-4H3,(H,20,21,24)
InChIKeyOAIGEEPWPBWVAO-UHFFFAOYSA-N
XLogP2.76
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 175563782
tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate
CID 168978264
tert-butyl 3-[(6-methoxyquinolin-3-yl)-methylamino]pyrrolidine-1-carboxylate
CID 175300918
tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-methylamino]piperidine-1-carboxylate
CID 146365561
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222
tert-butyl N-[(3S,4R)-4-fluoro-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 168978496
tert-butyl 4-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 91234537
tert-butyl (3R)-3-[[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-methylamino]pyrrolidine-1-carboxylate
CID 168978617
tert-butyl (3S)-3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 99906455
tert-butyl 3-[methyl-(4-oxo-3H-pyrido[3,2-d]pyrimidin-6-yl)amino]pyrrolidine-1-carboxylate
CID 156504967
tert-butyl 4-[methyl-[3-(methylamino)quinoxalin-2-yl]amino]piperidine-1-carboxylate
CID 71648017

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate (CID 168978985) is tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate is CN(c1cnc2[nH]c(=O)ccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is OAIGEEPWPBWVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)23-9-7-14(8-10-23)22(4)15-11-13-5-6-16(24)21-17(13)20-12-15/h5-6,11-12,14H,7-10H2,1-4H3,(H,20,21,24).
What are the key properties of tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 168978985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).