N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide

C23H30N6O — CID 176985639

IUPACN-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide
SMILESCc1c(C#N)ccc(N(C)C2CCC(NC(=O)c3ncc(C(C)C)nn3)CC2)c1C
InChIInChI=1S/C23H30N6O/c1-14(2)20-13-25-22(28-27-20)23(30)26-18-7-9-19(10-8-18)29(5)21-11-6-17(12-24)15(3)16(21)4/h6,11,13-14,18-19H,7-10H2,1-5H3,(H,26,30)
InChIKeyLPBYLPRIXCJFJU-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide

N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide (PubChem CID 176985639) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide
PubChem CID176985639
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide
SMILESCc1c(C#N)ccc(N(C)C2CCC(NC(=O)c3ncc(C(C)C)nn3)CC2)c1C
InChIInChI=1S/C23H30N6O/c1-14(2)20-13-25-22(28-27-20)23(30)26-18-7-9-19(10-8-18)29(5)21-11-6-17(12-24)15(3)16(21)4/h6,11,13-14,18-19H,7-10H2,1-5H3,(H,26,30)
InChIKeyLPBYLPRIXCJFJU-UHFFFAOYSA-N
XLogP3.66
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide with MolForge

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Related Compounds

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 176986276
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985777
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176986588
N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
CID 176985927
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
CID 176985665
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
1-[6-[[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidine-4-carboxylic acid;ethane
CID 176554108
N-[3-(4-cyano-2,3-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 177123129
N-[3-(3-chloro-4-cyano-N-methylanilino)-2,2,4,4-tetramethylcyclobutyl]-6-propan-2-ylpyridine-3-carboxamide
CID 170669647
1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide?
The IUPAC name of N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide (CID 176985639) is N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide?
The canonical SMILES for N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide is Cc1c(C#N)ccc(N(C)C2CCC(NC(=O)c3ncc(C(C)C)nn3)CC2)c1C.
What is the InChIKey of N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide?
The InChIKey is LPBYLPRIXCJFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-14(2)20-13-25-22(28-27-20)23(30)26-18-7-9-19(10-8-18)29(5)21-11-6-17(12-24)15(3)16(21)4/h6,11,13-14,18-19H,7-10H2,1-5H3,(H,26,30).
What are the key properties of N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide?
N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-N,2,3-trimethylanilino)cyclohexyl]-6-propan-2-yl-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 176985639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).