N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen

C24H32N4O2 — CID 176986588

IUPACN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
SMILESCOc1cc(N(C)C2CCC(NC(=O)c3ccc(C(C)C)cn3)CC2)ccc1C#N.[H][H]
InChIInChI=1S/C24H30N4O2.H2/c1-16(2)18-6-12-22(26-15-18)24(29)27-19-7-10-20(11-8-19)28(3)21-9-5-17(14-25)23(13-21)30-4;/h5-6,9,12-13,15-16,19-20H,7-8,10-11H2,1-4H3,(H,27,29);1H
InChIKeyPMIITSXUOWDBPO-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.51
Rot. Bonds6

About N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen

N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen (PubChem CID 176986588) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
PubChem CID176986588
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
SMILESCOc1cc(N(C)C2CCC(NC(=O)c3ccc(C(C)C)cn3)CC2)ccc1C#N.[H][H]
InChIInChI=1S/C24H30N4O2.H2/c1-16(2)18-6-12-22(26-15-18)24(29)27-19-7-10-20(11-8-19)28(3)21-9-5-17(14-25)23(13-21)30-4;/h5-6,9,12-13,15-16,19-20H,7-8,10-11H2,1-4H3,(H,27,29);1H
InChIKeyPMIITSXUOWDBPO-UHFFFAOYSA-N
XLogP4.51
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-6-propan-2-ylpyridazine-3-carboxamide
CID 176986276
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-6-ethylpyridine-3-carboxamide
CID 176985665
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[3-(4-cyano-3-ethoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 176983973
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176983546
1-[6-[[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]carbamoyl]pyridazin-3-yl]piperidine-4-carboxylic acid;ethane
CID 176554108
N-[4-(4-cyano-N,3-dimethylanilino)cyclohexyl]-4-ethylbenzamide
CID 176985927
2-methoxy-4-propan-2-ylbenzonitrile
CID 82490541
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen (CID 176986588) is N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen is COc1cc(N(C)C2CCC(NC(=O)c3ccc(C(C)C)cn3)CC2)ccc1C#N.[H][H].
What is the InChIKey of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen?
The InChIKey is PMIITSXUOWDBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.H2/c1-16(2)18-6-12-22(26-15-18)24(29)27-19-7-10-20(11-8-19)28(3)21-9-5-17(14-25)23(13-21)30-4;/h5-6,9,12-13,15-16,19-20H,7-8,10-11H2,1-4H3,(H,27,29);1H.
What are the key properties of N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen?
N-[4-(4-cyano-3-methoxy-N-methylanilino)cyclohexyl]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen has a molecular weight of 408.55 g/mol, XLogP of 4.51, 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]-5-propan-2-ylpyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 176986588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).