tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate

C18H28N4O2 — CID 156569444

IUPACtert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate
SMILESC[C@@H]1CC1CN(c1ccc(N)nc1)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N4O2/c1-12-7-13(12)9-22(14-5-6-16(19)20-8-14)15-10-21(11-15)17(23)24-18(2,3)4/h5-6,8,12-13,15H,7,9-11H2,1-4H3,(H2,19,20)/t12-,13?/m1/s1
InChIKeyPPOLRBBRGHRNJL-PZORYLMUSA-N
MW332.45 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate

tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate (PubChem CID 156569444) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate
PubChem CID156569444
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Nametert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate
SMILESC[C@@H]1CC1CN(c1ccc(N)nc1)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N4O2/c1-12-7-13(12)9-22(14-5-6-16(19)20-8-14)15-10-21(11-15)17(23)24-18(2,3)4/h5-6,8,12-13,15H,7,9-11H2,1-4H3,(H2,19,20)/t12-,13?/m1/s1
InChIKeyPPOLRBBRGHRNJL-PZORYLMUSA-N
XLogP2.75
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-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

methyl 5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]pyridine-2-carboxylate
CID 166021842
tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate
CID 172714195
tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl 6-(6-amino-3-pyridinyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 123588083
tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 18771787
tert-butyl 4-(6-amino-3-pyridinyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 118045667
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
CID 71258498
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl 3-[(5-cyano-2-pyridinyl)-methylamino]azetidine-1-carboxylate
CID 169219644
tert-butyl 4-[2-(6-amino-3-pyridinyl)ethynyl]piperidine-1-carboxylate
CID 169087118
tert-butyl 2-(6-amino-3-pyridinyl)-2,5-dihydropyrrole-1-carboxylate
CID 141444474

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate (CID 156569444) is tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate is C[C@@H]1CC1CN(c1ccc(N)nc1)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate?
The InChIKey is PPOLRBBRGHRNJL-PZORYLMUSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12-7-13(12)9-22(14-5-6-16(19)20-8-14)15-10-21(11-15)17(23)24-18(2,3)4/h5-6,8,12-13,15H,7,9-11H2,1-4H3,(H2,19,20)/t12-,13?/m1/s1.
What are the key properties of tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-amino-3-pyridinyl)-[[(2R)-2-methylcyclopropyl]methyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 156569444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).