tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate

C14H21N5O2 — CID 114517940

IUPACtert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ncc(N)cc1C#N
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)18-6-4-5-17-12-10(8-15)7-11(16)9-19-12/h7,9H,4-6,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHPQMTWVXWMAQOH-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.86
Rot. Bonds5

About tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate

tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate (PubChem CID 114517940) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
PubChem CID114517940
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nametert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1ncc(N)cc1C#N
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)18-6-4-5-17-12-10(8-15)7-11(16)9-19-12/h7,9H,4-6,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyHPQMTWVXWMAQOH-UHFFFAOYSA-N
XLogP1.86
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]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-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926
tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 115611765
5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
CID 113326752
tert-butyl N-[3-(4-bromo-2-cyanoanilino)propyl]carbamate
CID 82694802
tert-butyl N-[4-[(3-bromo-5-carbamoyl-2-pyridinyl)amino]butyl]carbamate
CID 155787018
tert-butyl N-[3-(4-amino-2,6-dichloroanilino)propyl]carbamate
CID 106890847
tert-butyl N-[3-(3-bromo-4-cyanoanilino)propyl]carbamate
CID 107280373
tert-butyl N-[4-(6-amino-5-cyano-3-pyridinyl)but-3-enyl]carbamate
CID 170490568
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
tert-butyl N-[3-(4-amino-2-cyano-5-methylphenyl)propyl]carbamate
CID 130270935
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
tert-butyl N-[3-[(5-amino-6-propoxypyrimidin-4-yl)amino]propyl]carbamate
CID 104932840

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate (CID 114517940) is tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1ncc(N)cc1C#N.
What is the InChIKey of tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate?
The InChIKey is HPQMTWVXWMAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)18-6-4-5-17-12-10(8-15)7-11(16)9-19-12/h7,9H,4-6,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate?
tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate has a molecular weight of 291.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate is sourced from PubChem (CID 114517940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).