1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide

C19H28N6O — CID 70737824

IUPAC1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
SMILESCc1ccnc(CC(C)N(C)C(=O)c2cn(C3CCC(N)CC3)nn2)c1
InChIInChI=1S/C19H28N6O/c1-13-8-9-21-16(10-13)11-14(2)24(3)19(26)18-12-25(23-22-18)17-6-4-15(20)5-7-17/h8-10,12,14-15,17H,4-7,11,20H2,1-3H3
InChIKeyHYAGFESBYBEGNV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.13
Rot. Bonds5

About 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide (PubChem CID 70737824) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
PubChem CID70737824
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
SMILESCc1ccnc(CC(C)N(C)C(=O)c2cn(C3CCC(N)CC3)nn2)c1
InChIInChI=1S/C19H28N6O/c1-13-8-9-21-16(10-13)11-14(2)24(3)19(26)18-12-25(23-22-18)17-6-4-15(20)5-7-17/h8-10,12,14-15,17H,4-7,11,20H2,1-3H3
InChIKeyHYAGFESBYBEGNV-UHFFFAOYSA-N
XLogP2.13
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide (CID 70737824) is 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide is Cc1ccnc(CC(C)N(C)C(=O)c2cn(C3CCC(N)CC3)nn2)c1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is HYAGFESBYBEGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-8-9-21-16(10-13)11-14(2)24(3)19(26)18-12-25(23-22-18)17-6-4-15(20)5-7-17/h8-10,12,14-15,17H,4-7,11,20H2,1-3H3.
What are the key properties of 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 70737824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).