tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate

C14H23N3O3 — CID 103388538

IUPACtert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate
SMILESCOc1ncccc1NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-10(9-16-13(18)20-14(2,3)4)17-11-7-6-8-15-12(11)19-5/h6-8,10,17H,9H2,1-5H3,(H,16,18)
InChIKeyUJUCBRBVXQLQMO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate

tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate (PubChem CID 103388538) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate
PubChem CID103388538
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate
SMILESCOc1ncccc1NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-10(9-16-13(18)20-14(2,3)4)17-11-7-6-8-15-12(11)19-5/h6-8,10,17H,9H2,1-5H3,(H,16,18)
InChIKeyUJUCBRBVXQLQMO-UHFFFAOYSA-N
XLogP2.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(2,3-dimethylanilino)propyl]carbamate
CID 103387317
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]pyridin-3-amine
CID 92977511
2-methoxy-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 43721890
2-methoxy-N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43721830
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
2-methoxy-N-(1-phenylpropan-2-yl)pyridin-3-amine
CID 55148980
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate
CID 66336844
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate (CID 103388538) is tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate is COc1ncccc1NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate?
The InChIKey is UJUCBRBVXQLQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(9-16-13(18)20-14(2,3)4)17-11-7-6-8-15-12(11)19-5/h6-8,10,17H,9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate?
tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate is sourced from PubChem (CID 103388538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).