N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide

C17H23N5O — CID 90374932

IUPACN-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide
SMILESCCN(CCC#N)C(=O)CNCc1cc(/C=N/C2CC2)ccn1
InChIInChI=1S/C17H23N5O/c1-2-22(9-3-7-18)17(23)13-19-12-16-10-14(6-8-20-16)11-21-15-4-5-15/h6,8,10-11,15,19H,2-5,9,12-13H2,1H3/b21-11+
InChIKeyGWEFYAUJUFHGER-SRZZPIQSSA-N
MW313.41 g/mol
LogP1.51
Rot. Bonds9

About N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide

N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide (PubChem CID 90374932) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide
PubChem CID90374932
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide
SMILESCCN(CCC#N)C(=O)CNCc1cc(/C=N/C2CC2)ccn1
InChIInChI=1S/C17H23N5O/c1-2-22(9-3-7-18)17(23)13-19-12-16-10-14(6-8-20-16)11-21-15-4-5-15/h6,8,10-11,15,19H,2-5,9,12-13H2,1H3/b21-11+
InChIKeyGWEFYAUJUFHGER-SRZZPIQSSA-N
XLogP1.51
TPSA81.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
CID 144690114
2-[[[2-[2-[butyl(methyl)amino]ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylic acid
CID 177383169
1-[(4-methanimidoyl-2-pyridinyl)methylamino]propan-2-one
CID 144690147
2-[[4-[1-(2,2-difluoroethoxy)ethenyl]-2-pyridinyl]methylamino]-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
CID 126755698
2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide
CID 122461053
2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde
CID 78427354
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
CID 60954185
[2,4-di(propan-2-yloxy)phenyl] 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxylate
CID 146374976
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
N-(1H-benzimidazol-4-yl)-2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide
CID 146374973
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide (CID 90374932) is N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide is CCN(CCC#N)C(=O)CNCc1cc(/C=N/C2CC2)ccn1.
What is the InChIKey of N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide?
The InChIKey is GWEFYAUJUFHGER-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-22(9-3-7-18)17(23)13-19-12-16-10-14(6-8-20-16)11-21-15-4-5-15/h6,8,10-11,15,19H,2-5,9,12-13H2,1H3/b21-11+.
What are the key properties of N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide?
N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide has a molecular weight of 313.41 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[[4-(cyclopropyliminomethyl)-2-pyridinyl]methylamino]-N-ethylacetamide is sourced from PubChem (CID 90374932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).