N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C17H24N6O2 — CID 74236420

IUPACN-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCN(C)CCN(CC1CCCO1)C(=O)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C17H24N6O2/c1-21(2)8-9-22(11-14-5-4-10-25-14)17(24)15-6-3-7-16(20-15)23-12-18-19-13-23/h3,6-7,12-14H,4-5,8-11H2,1-2H3
InChIKeyOVCTYIZHUMGRJJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.85
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 74236420) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID74236420
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCN(C)CCN(CC1CCCO1)C(=O)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C17H24N6O2/c1-21(2)8-9-22(11-14-5-4-10-25-14)17(24)15-6-3-7-16(20-15)23-12-18-19-13-23/h3,6-7,12-14H,4-5,8-11H2,1-2H3
InChIKeyOVCTYIZHUMGRJJ-UHFFFAOYSA-N
XLogP0.85
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 95303165
N-[2-(dimethylamino)ethyl]-5,7-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129433974
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95301857
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 74236420) is N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is CN(C)CCN(CC1CCCO1)C(=O)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is OVCTYIZHUMGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)8-9-22(11-14-5-4-10-25-14)17(24)15-6-3-7-16(20-15)23-12-18-19-13-23/h3,6-7,12-14H,4-5,8-11H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 74236420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).