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

C17H24N4O2 — CID 60502996

IUPACtert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCNc1ccc(C#N)cn1)C1CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21(14-6-7-14)10-4-9-19-15-8-5-13(11-18)12-20-15/h5,8,12,14H,4,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyGVJIVVINUYIQPQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.15
Rot. Bonds6

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

tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate (PubChem CID 60502996) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
PubChem CID60502996
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Nametert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(CCCNc1ccc(C#N)cn1)C1CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21(14-6-7-14)10-4-9-19-15-8-5-13(11-18)12-20-15/h5,8,12,14H,4,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyGVJIVVINUYIQPQ-UHFFFAOYSA-N
XLogP3.15
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate 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-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
CID 71985351
tert-butyl N-[3-(4-cyanophenoxy)propyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamate
CID 67131639
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
CID 67218178
tert-butyl (2S)-2-[[(5-cyano-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 91203490
6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946
tert-butyl N-[(1S,4R)-4-[[(5-cyano-2-pyridinyl)amino]methyl]cyclopent-2-en-1-yl]carbamate
CID 69483781
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
CID 133480172
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate (CID 60502996) is tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(CCCNc1ccc(C#N)cn1)C1CC1.
What is the InChIKey of tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate?
The InChIKey is GVJIVVINUYIQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21(14-6-7-14)10-4-9-19-15-8-5-13(11-18)12-20-15/h5,8,12,14H,4,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate?
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate has a molecular weight of 316.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 60502996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).