2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide

C18H20ClN5O — CID 145106403

IUPAC2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
SMILESCCN(CCN(C)c1nccc(C#N)c1Cl)C(=O)c1ccccc1N
InChIInChI=1S/C18H20ClN5O/c1-3-24(18(25)14-6-4-5-7-15(14)21)11-10-23(2)17-16(19)13(12-20)8-9-22-17/h4-9H,3,10-11,21H2,1-2H3
InChIKeyWSUBMHCTDINOEN-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.79
Rot. Bonds6

About 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide

2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide (PubChem CID 145106403) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
PubChem CID145106403
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
SMILESCCN(CCN(C)c1nccc(C#N)c1Cl)C(=O)c1ccccc1N
InChIInChI=1S/C18H20ClN5O/c1-3-24(18(25)14-6-4-5-7-15(14)21)11-10-23(2)17-16(19)13(12-20)8-9-22-17/h4-9H,3,10-11,21H2,1-2H3
InChIKeyWSUBMHCTDINOEN-UHFFFAOYSA-N
XLogP2.79
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
CID 145106409
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide?
The IUPAC name of 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide (CID 145106403) is 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide.
What is the SMILES notation for 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide?
The canonical SMILES for 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide is CCN(CCN(C)c1nccc(C#N)c1Cl)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide?
The InChIKey is WSUBMHCTDINOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-3-24(18(25)14-6-4-5-7-15(14)21)11-10-23(2)17-16(19)13(12-20)8-9-22-17/h4-9H,3,10-11,21H2,1-2H3.
What are the key properties of 2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide?
2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide has a molecular weight of 357.85 g/mol, XLogP of 2.79, 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-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide is sourced from PubChem (CID 145106403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).