tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate

C16H25N3O3 — CID 103933766

IUPACtert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
SMILESCC1CC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCO1
InChIInChI=1S/C16H25N3O3/c1-11-9-12(7-8-21-11)18-13-5-6-14(17-10-13)19-15(20)22-16(2,3)4/h5-6,10-12,18H,7-9H2,1-4H3,(H,17,19,20)
InChIKeyXNIOEEBWXKSCRI-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate

tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate (PubChem CID 103933766) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
PubChem CID103933766
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate
SMILESCC1CC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCO1
InChIInChI=1S/C16H25N3O3/c1-11-9-12(7-8-21-11)18-13-5-6-14(17-10-13)19-15(20)22-16(2,3)4/h5-6,10-12,18H,7-9H2,1-4H3,(H,17,19,20)
InChIKeyXNIOEEBWXKSCRI-UHFFFAOYSA-N
XLogP3.41
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate 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

tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[5-[(1-methylpiperidin-3-yl)amino]-2-pyridinyl]carbamate
CID 107243155
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
tert-butyl N-[5-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]-2-pyridinyl]carbamate
CID 114238920
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-(piperidin-3-ylmethylamino)-2-pyridinyl]carbamate
CID 107243062
tert-butyl N-[5-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-pyridinyl]carbamate
CID 113354957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate (CID 103933766) is tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate is CC1CC(Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCO1.
What is the InChIKey of tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate?
The InChIKey is XNIOEEBWXKSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-9-12(7-8-21-11)18-13-5-6-14(17-10-13)19-15(20)22-16(2,3)4/h5-6,10-12,18H,7-9H2,1-4H3,(H,17,19,20).
What are the key properties of tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-methyloxan-4-yl)amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 103933766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).