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

C14H23N3O3 — CID 114518163

IUPACtert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
SMILESCOc1cccnc1NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-14(2,3)20-13(18)17-10-6-9-16-12-11(19-4)7-5-8-15-12/h5,7-8H,6,9-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZVMYHFHHSBTYGF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.42
Rot. Bonds6

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

tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate (PubChem CID 114518163) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
PubChem CID114518163
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
SMILESCOc1cccnc1NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-14(2,3)20-13(18)17-10-6-9-16-12-11(19-4)7-5-8-15-12/h5,7-8H,6,9-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZVMYHFHHSBTYGF-UHFFFAOYSA-N
XLogP2.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 115611765
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666
tert-butyl N-[4-(2,6-dimethoxyphenyl)-4-oxobutyl]carbamate
CID 102544236
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
tert-butyl N-[3-[(6-fluoro-3-pyridinyl)amino]propyl]carbamate
CID 107095376

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate (CID 114518163) is tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate is COc1cccnc1NCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate?
The InChIKey is ZVMYHFHHSBTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)20-13(18)17-10-6-9-16-12-11(19-4)7-5-8-15-12/h5,7-8H,6,9-10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate is sourced from PubChem (CID 114518163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).