N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C19H28N6O — CID 70760529

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1cc(C)nc(CN(C)C(=O)c2cn(CCC3CCCCN3)nn2)c1
InChIInChI=1S/C19H28N6O/c1-14-10-15(2)21-17(11-14)12-24(3)19(26)18-13-25(23-22-18)9-7-16-6-4-5-8-20-16/h10-11,13,16,20H,4-9,12H2,1-3H3
InChIKeyRGPKLTCARRGZGU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.09
Rot. Bonds6

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70760529) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70760529
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCc1cc(C)nc(CN(C)C(=O)c2cn(CCC3CCCCN3)nn2)c1
InChIInChI=1S/C19H28N6O/c1-14-10-15(2)21-17(11-14)12-24(3)19(26)18-13-25(23-22-18)9-7-16-6-4-5-8-20-16/h10-11,13,16,20H,4-9,12H2,1-3H3
InChIKeyRGPKLTCARRGZGU-UHFFFAOYSA-N
XLogP2.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 95875073
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylazetidine-2-carboxamide
CID 131905864
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide
CID 25449527
N-[3-chloro-4-(ethylcarbamoyl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide;hydrochloride
CID 154912901
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 131950023
N,2,5-trimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-carboxamide
CID 66126689
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70760529) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Cc1cc(C)nc(CN(C)C(=O)c2cn(CCC3CCCCN3)nn2)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is RGPKLTCARRGZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-10-15(2)21-17(11-14)12-24(3)19(26)18-13-25(23-22-18)9-7-16-6-4-5-8-20-16/h10-11,13,16,20H,4-9,12H2,1-3H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70760529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).