tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate

C15H20N4O2 — CID 170490568

IUPACtert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cnc(N)c(C#N)c1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-7-5-4-6-11-8-12(9-16)13(17)19-10-11/h4,6,8,10H,5,7H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyDHIXKSBNISTBKY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.46
Rot. Bonds4

About tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate

tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate (PubChem CID 170490568) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
PubChem CID170490568
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1cnc(N)c(C#N)c1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-7-5-4-6-11-8-12(9-16)13(17)19-10-11/h4,6,8,10H,5,7H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyDHIXKSBNISTBKY-UHFFFAOYSA-N
XLogP2.46
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.46
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-[4-(3-amino-4-cyanophenyl)but-3-enyl]carbamate
CID 170490413
tert-butyl N-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490429
tert-butyl N-[4-[4-cyano-3-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170491341
tert-butyl N-[4-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]but-3-enyl]carbamate
CID 170491449
tert-butyl N-[4-(3-cyano-2-pyridinyl)but-3-enyl]carbamate
CID 170490103
ethyl 4-(6-amino-5-cyano-3-pyridinyl)but-3-enoate
CID 170796244
tert-butyl N-[4-(5-chloro-6-fluoro-3-pyridinyl)but-3-enyl]carbamate
CID 170490180
tert-butyl N-[4-[2-cyano-5-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170491344
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzene-1,3-dicarboxylic acid
CID 170491283
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
tert-butyl N-[4-[5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490205
tert-butyl N-[4-[4-(cyanomethyl)phenyl]but-3-enyl]carbamate
CID 170490487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate (CID 170490568) is tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1cnc(N)c(C#N)c1.
What is the InChIKey of tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate?
The InChIKey is DHIXKSBNISTBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-7-5-4-6-11-8-12(9-16)13(17)19-10-11/h4,6,8,10H,5,7H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate?
tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate is sourced from PubChem (CID 170490568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).