N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide

C19H24N8O — CID 121416968

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C19H24N8O/c1-5-26(12-11-25(4)19-23-14(2)13-15(3)24-19)18(28)17-16(7-6-8-20-17)27-21-9-10-22-27/h6-10,13H,5,11-12H2,1-4H3
InChIKeyRJOJHBJNLKRONY-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.67
Rot. Bonds7

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 121416968) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID121416968
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C19H24N8O/c1-5-26(12-11-25(4)19-23-14(2)13-15(3)24-19)18(28)17-16(7-6-8-20-17)27-21-9-10-22-27/h6-10,13H,5,11-12H2,1-4H3
InChIKeyRJOJHBJNLKRONY-UHFFFAOYSA-N
XLogP1.67
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(N-(4,6-dimethylpyrimidin-2-yl)-2-ethylanilino)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416969
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide
CID 121416919
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
CID 121427025
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide
CID 121416975
3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 66742288
N-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 25204740
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
CID 121427026
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109329548

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide (CID 121416968) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ncccc1-n1nccn1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is RJOJHBJNLKRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-5-26(12-11-25(4)19-23-14(2)13-15(3)24-19)18(28)17-16(7-6-8-20-17)27-21-9-10-22-27/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 121416968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).