N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

C23H29N5O — CID 42213389

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)CCCCC1
InChIInChI=1S/C23H29N5O/c1-27(2)23(13-6-3-7-14-23)17-24-22(29)21-16-28(26-25-21)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3,(H,24,29)
InChIKeyFWKSMUXGSVLINA-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (PubChem CID 42213389) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
PubChem CID42213389
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)CCCCC1
InChIInChI=1S/C23H29N5O/c1-27(2)23(13-6-3-7-14-23)17-24-22(29)21-16-28(26-25-21)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3,(H,24,29)
InChIKeyFWKSMUXGSVLINA-UHFFFAOYSA-N
XLogP3.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoro-N-({1-[(2r)-4-(Hydroxyamino)-1-(Naphthalen-2-Yl)-4-Oxobutan-2-Yl]-1h-1,2,3-Triazol-4-Yl}methyl)benzamide
CID 78318176
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
N-cyclopropyl-1-(2-{1-[(2'-methyl-3-biphenylyl)methyl]-2-piperidinyl}ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45244515
1-benzyl-N-[(1-benzyltriazol-4-yl)methyl]triazole-4-carboxamide
CID 71661125
1-benzyl-N-phenyltriazole-4-carboxamide
CID 16063411
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
1-[1-(4-fluorophenyl)propyl]-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
CID 45489166
1-[1-(4-methylphenyl)ethyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 648494
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 651445
1-[(2-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 3231040

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (CID 42213389) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The InChIKey is FWKSMUXGSVLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-27(2)23(13-6-3-7-14-23)17-24-22(29)21-16-28(26-25-21)15-19-11-8-10-18-9-4-5-12-20(18)19/h4-5,8-12,16H,3,6-7,13-15,17H2,1-2H3,(H,24,29).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 42213389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).