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

C14H20N4O2 — CID 115611765

IUPACtert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ncccc1C#N
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18-9-5-8-17-12-11(10-15)6-4-7-16-12/h4,6-7H,5,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFEPFXEJZGSCPCB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds5

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

tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate (PubChem CID 115611765) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
PubChem CID115611765
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ncccc1C#N
InChIInChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18-9-5-8-17-12-11(10-15)6-4-7-16-12/h4,6-7H,5,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFEPFXEJZGSCPCB-UHFFFAOYSA-N
XLogP2.28
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.28
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-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517940
tert-butyl N-[1-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42961974
tert-butyl N-[4-(3-cyano-2-pyridinyl)but-3-enyl]carbamate
CID 170490103
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
2-bromo-N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-5-methoxybenzamide
CID 133295594
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate (CID 115611765) is tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1ncccc1C#N.
What is the InChIKey of tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate?
The InChIKey is FEPFXEJZGSCPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18-9-5-8-17-12-11(10-15)6-4-7-16-12/h4,6-7H,5,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.28, 5 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-cyano-2-pyridinyl)amino]propyl]carbamate is sourced from PubChem (CID 115611765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).