N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide

C23H28N4O2 — CID 176985665

IUPACN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
SMILESCCc1ccc(C(=O)NC2CCC(N(C)c3ccc(C#N)c(OC)c3)CC2)cn1
InChIInChI=1S/C23H28N4O2/c1-4-18-7-5-17(15-25-18)23(28)26-19-8-11-20(12-9-19)27(2)21-10-6-16(14-24)22(13-21)29-3/h5-7,10,13,15,19-20H,4,8-9,11-12H2,1-3H3,(H,26,28)
InChIKeyLUTPZOWPGQPWJF-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.70
Rot. Bonds6

About N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide (PubChem CID 176985665) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
PubChem CID176985665
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
SMILESCCc1ccc(C(=O)NC2CCC(N(C)c3ccc(C#N)c(OC)c3)CC2)cn1
InChIInChI=1S/C23H28N4O2/c1-4-18-7-5-17(15-25-18)23(28)26-19-8-11-20(12-9-19)27(2)21-10-6-16(14-24)22(13-21)29-3/h5-7,10,13,15,19-20H,4,8-9,11-12H2,1-3H3,(H,26,28)
InChIKeyLUTPZOWPGQPWJF-UHFFFAOYSA-N
XLogP3.70
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide with MolForge

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Related Compounds

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-3-methoxy-N-methylanilino)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 176986276
N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
CID 176985927
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-2-(7-hydroxyspiro[3.5]nonan-2-yl)oxypyrimidine-5-carboxamide
CID 176985479
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-ethyl-5-fluoropyridine-3-carboxamide
CID 135296500
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide?
The IUPAC name of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide (CID 176985665) is N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide is CCc1ccc(C(=O)NC2CCC(N(C)c3ccc(C#N)c(OC)c3)CC2)cn1.
What is the InChIKey of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide?
The InChIKey is LUTPZOWPGQPWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-18-7-5-17(15-25-18)23(28)26-19-8-11-20(12-9-19)27(2)21-10-6-16(14-24)22(13-21)29-3/h5-7,10,13,15,19-20H,4,8-9,11-12H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide?
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide is sourced from PubChem (CID 176985665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).