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

C20H21N7O — CID 121416927

IUPACN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21N7O/c1-3-26(13-12-25(2)19-14-16(15-21)8-9-22-19)20(28)17-6-4-5-7-18(17)27-23-10-11-24-27/h4-11,14H,3,12-13H2,1-2H3
InChIKeySVMUFUOYEYJDQC-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.13
Rot. Bonds7

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

N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (PubChem CID 121416927) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
PubChem CID121416927
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21N7O/c1-3-26(13-12-25(2)19-14-16(15-21)8-9-22-19)20(28)17-6-4-5-7-18(17)27-23-10-11-24-27/h4-11,14H,3,12-13H2,1-2H3
InChIKeySVMUFUOYEYJDQC-UHFFFAOYSA-N
XLogP2.13
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
CID 121416975
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
CID 145106409
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
N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
CID 71468064
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-[2-(N-(4,6-dimethylpyrimidin-2-yl)-2-ethylanilino)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416969
N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 71468063
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 121416968
N-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 25204740
2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
CID 145106403

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (CID 121416927) is N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is CCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The InChIKey is SVMUFUOYEYJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-3-26(13-12-25(2)19-14-16(15-21)8-9-22-19)20(28)17-6-4-5-7-18(17)27-23-10-11-24-27/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide has a molecular weight of 375.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121416927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).