N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide

C20H20FN7O — CID 121416975

IUPACN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1c(F)cccc1-n1nccn1
InChIInChI=1S/C20H20FN7O/c1-3-27(12-11-26(2)18-13-15(14-22)7-8-23-18)20(29)19-16(21)5-4-6-17(19)28-24-9-10-25-28/h4-10,13H,3,11-12H2,1-2H3
InChIKeyBSUZVBUCBMVFKV-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide

N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide (PubChem CID 121416975) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
PubChem CID121416975
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC NameN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1c(F)cccc1-n1nccn1
InChIInChI=1S/C20H20FN7O/c1-3-27(12-11-26(2)18-13-15(14-22)7-8-23-18)20(29)19-16(21)5-4-6-17(19)28-24-9-10-25-28/h4-10,13H,3,11-12H2,1-2H3
InChIKeyBSUZVBUCBMVFKV-UHFFFAOYSA-N
XLogP2.27
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.27
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-(triazol-2-yl)benzamide
CID 121416927
2-amino-N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-5-methylbenzamide
CID 145106409
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 121416968
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 71468063
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
CID 121427026
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60653626
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide (CID 121416975) is N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide is CCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1c(F)cccc1-n1nccn1.
What is the InChIKey of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide?
The InChIKey is BSUZVBUCBMVFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-3-27(12-11-26(2)18-13-15(14-22)7-8-23-18)20(29)19-16(21)5-4-6-17(19)28-24-9-10-25-28/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide?
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide has a molecular weight of 393.43 g/mol, XLogP of 2.27, 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-fluoro-6-(triazol-2-yl)benzamide is sourced from PubChem (CID 121416975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).