N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide

C14H19N5O — CID 154724356

IUPACN-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(C#N)cnc1NC1CC1
InChIInChI=1S/C14H19N5O/c1-10(20)17-5-4-16-9-12-6-11(7-15)8-18-14(12)19-13-2-3-13/h6,8,13,16H,2-5,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySZUUQIGSBYFODY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds7

About N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide

N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide (PubChem CID 154724356) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide
PubChem CID154724356
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(C#N)cnc1NC1CC1
InChIInChI=1S/C14H19N5O/c1-10(20)17-5-4-16-9-12-6-11(7-15)8-18-14(12)19-13-2-3-13/h6,8,13,16H,2-5,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySZUUQIGSBYFODY-UHFFFAOYSA-N
XLogP0.75
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide 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

5-[[1-(2-chloroacetyl)piperidin-4-yl]amino]-6-(ethylamino)pyridine-3-carbonitrile
CID 154725372
N-[2-(pyrazin-2-ylmethylamino)ethyl]acetamide
CID 62763041
methyl 3-[(3-chloro-5-cyano-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385695
6-[(4,4-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471718
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607
2-[2-(5-cyano-3-hydroxy-2-pyridinyl)-6-oxo-1H-pyrimidin-5-yl]-N-cyclopropylacetamide
CID 135871193
N-[2-[[5-chloro-4-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-methylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-[(5-cyano-3-pyridinyl)methoxy]phenyl]methylamino]ethyl]acetamide
CID 166802910
N-(5-cyano-2-methyl-3-pyridinyl)acetamide
CID 86280283
N-[2-(4-cyanoanilino)ethyl]acetamide
CID 43401184

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide (CID 154724356) is N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1cc(C#N)cnc1NC1CC1.
What is the InChIKey of N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide?
The InChIKey is SZUUQIGSBYFODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(20)17-5-4-16-9-12-6-11(7-15)8-18-14(12)19-13-2-3-13/h6,8,13,16H,2-5,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide?
N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-cyano-2-(cyclopropylamino)-3-pyridinyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 154724356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).