N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide

C20H20ClN7O — CID 121416915

IUPACN-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nccc(C#N)c1Cl)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H20ClN7O/c1-3-27(13-12-26(2)19-18(21)15(14-22)8-9-23-19)20(29)16-6-4-5-7-17(16)28-24-10-11-25-28/h4-11H,3,12-13H2,1-2H3
InChIKeyQOOBANMTKWHRSE-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide

N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (PubChem CID 121416915) has the molecular formula C20H20ClN7O and a molecular weight of 409.88 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
PubChem CID121416915
Molecular FormulaC20H20ClN7O
Molecular Weight409.88 g/mol
Exact Mass409.14
IUPAC NameN-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nccc(C#N)c1Cl)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H20ClN7O/c1-3-27(13-12-26(2)19-18(21)15(14-22)8-9-23-19)20(29)16-6-4-5-7-17(16)28-24-10-11-25-28/h4-11H,3,12-13H2,1-2H3
InChIKeyQOOBANMTKWHRSE-UHFFFAOYSA-N
XLogP2.79
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
CID 145106403
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
CID 121416975
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
CID 121427026
2-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrimidine-4-carboxylic acid
CID 121413937
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
CID 107056929
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
CID 71468064
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 71468061

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (CID 121416915) is N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is CCN(CCN(C)c1nccc(C#N)c1Cl)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The InChIKey is QOOBANMTKWHRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O/c1-3-27(13-12-26(2)19-18(21)15(14-22)8-9-23-19)20(29)16-6-4-5-7-17(16)28-24-10-11-25-28/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide has a molecular weight of 409.88 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121416915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).