2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide

C19H23N5O — CID 145106409

IUPAC2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1cc(C)ccc1N
InChIInChI=1S/C19H23N5O/c1-4-24(19(25)16-11-14(2)5-6-17(16)21)10-9-23(3)18-12-15(13-20)7-8-22-18/h5-8,11-12H,4,9-10,21H2,1-3H3
InChIKeyUHSNWNOLBOTQDY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.44
Rot. Bonds6

About 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide

2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide (PubChem CID 145106409) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
PubChem CID145106409
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1cc(C)ccc1N
InChIInChI=1S/C19H23N5O/c1-4-24(19(25)16-11-14(2)5-6-17(16)21)10-9-23(3)18-12-15(13-20)7-8-22-18/h5-8,11-12H,4,9-10,21H2,1-3H3
InChIKeyUHSNWNOLBOTQDY-UHFFFAOYSA-N
XLogP2.44
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide 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

N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
CID 121416975
2-amino-N,N-bis(cyanomethyl)-5-methylbenzamide
CID 62508953
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
CID 145106403
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide (CID 145106409) is 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide is CCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide?
The InChIKey is UHSNWNOLBOTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-24(19(25)16-11-14(2)5-6-17(16)21)10-9-23(3)18-12-15(13-20)7-8-22-18/h5-8,11-12H,4,9-10,21H2,1-3H3.
What are the key properties of 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide?
2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide has a molecular weight of 337.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide is sourced from PubChem (CID 145106409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).