tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate

C22H30N6O2 — CID 170188357

IUPACtert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
SMILESCC(C)Nc1nc(C#N)cc2cnc(NC3CC(C)(NC(=O)OC(C)(C)C)C3)cc12
InChIInChI=1S/C22H30N6O2/c1-13(2)25-19-17-8-18(24-12-14(17)7-15(11-23)27-19)26-16-9-22(6,10-16)28-20(29)30-21(3,4)5/h7-8,12-13,16H,9-10H2,1-6H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyGBRCPCPXNWCZIO-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.18
Rot. Bonds5

About tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate

tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate (PubChem CID 170188357) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
PubChem CID170188357
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Nametert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
SMILESCC(C)Nc1nc(C#N)cc2cnc(NC3CC(C)(NC(=O)OC(C)(C)C)C3)cc12
InChIInChI=1S/C22H30N6O2/c1-13(2)25-19-17-8-18(24-12-14(17)7-15(11-23)27-19)26-16-9-22(6,10-16)28-20(29)30-21(3,4)5/h7-8,12-13,16H,9-10H2,1-6H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyGBRCPCPXNWCZIO-UHFFFAOYSA-N
XLogP4.18
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate with MolForge

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Related Compounds

7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile
CID 168932378
CID 174109812
CID 174109812
[(1R)-1-[7-[(4-aminocyclohexyl)amino]-1-(propan-2-ylamino)-2,6-naphthyridin-3-yl]ethyl] benzoate
CID 172548718
2-chloro-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrimidine-5-carboxylic acid
CID 146273886
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932072
tert-butyl N-[3-[2-amino-6-(propan-2-ylamino)pyrimidin-4-yl]cyclobutyl]carbamate
CID 175669870
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
2-[[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
CID 175907179
tert-butyl N-[3-(5-bromo-3-fluoro-2-pyridinyl)-3-cyano-1-methylcyclobutyl]carbamate
CID 153314510
tert-butyl N-[4-[(3-bromo-5-cyano-6-ethoxy-2-pyridinyl)amino]cyclohexyl]carbamate
CID 123998355
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
CID 169494715

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate (CID 170188357) is tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate is CC(C)Nc1nc(C#N)cc2cnc(NC3CC(C)(NC(=O)OC(C)(C)C)C3)cc12.
What is the InChIKey of tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate?
The InChIKey is GBRCPCPXNWCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-13(2)25-19-17-8-18(24-12-14(17)7-15(11-23)27-19)26-16-9-22(6,10-16)28-20(29)30-21(3,4)5/h7-8,12-13,16H,9-10H2,1-6H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate?
tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate has a molecular weight of 410.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate is sourced from PubChem (CID 170188357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).