N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile

C26H33N5O3 — CID 176986308

IUPACN-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile
SMILESCOc1ccc(C#N)c(C)c1.O=CC1CCN(c2ccc(C(=O)NC3CCCCC3)nn2)CC1
InChIInChI=1S/C17H24N4O2.C9H9NO/c22-12-13-8-10-21(11-9-13)16-7-6-15(19-20-16)17(23)18-14-4-2-1-3-5-14;1-7-5-9(11-2)4-3-8(7)6-10/h6-7,12-14H,1-5,8-11H2,(H,18,23);3-5H,1-2H3
InChIKeyHMCAXFOGIWBVLE-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.83
Rot. Bonds5

About N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile

N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile (PubChem CID 176986308) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile.

Molecular Properties

Compound NameN-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile
PubChem CID176986308
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile
SMILESCOc1ccc(C#N)c(C)c1.O=CC1CCN(c2ccc(C(=O)NC3CCCCC3)nn2)CC1
InChIInChI=1S/C17H24N4O2.C9H9NO/c22-12-13-8-10-21(11-9-13)16-7-6-15(19-20-16)17(23)18-14-4-2-1-3-5-14;1-7-5-9(11-2)4-3-8(7)6-10/h6-7,12-14H,1-5,8-11H2,(H,18,23);3-5H,1-2H3
InChIKeyHMCAXFOGIWBVLE-UHFFFAOYSA-N
XLogP3.83
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]-3-methylpiperidin-1-yl]pyridazine-3-carboxamide
CID 176985420
N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 176986293
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-oxopiperidin-1-yl)pyridazine-3-carboxamide
CID 155212141
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-piperidin-4-ylpiperidin-1-yl)pyridazine-3-carboxamide
CID 176985742
N-cyclohexyl-5-(4-formylpiperidin-1-yl)pyrazine-2-carboxamide
CID 167041254
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-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 176985888
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(2S)-2-formylmorpholin-4-yl]pyridazine-3-carboxamide
CID 169195094
N-[4-(3-chloro-4-cyanophenoxy)-4-iodocyclohexyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 170412569
N-cycloheptyl-6-methoxypyridazine-3-carboxamide
CID 90509309
N-cyclohexyl-6-methoxypyridazine-3-carboxamide
CID 90509273

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile?
The IUPAC name of N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile (CID 176986308) is N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile.
What is the SMILES notation for N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile?
The canonical SMILES for N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile is COc1ccc(C#N)c(C)c1.O=CC1CCN(c2ccc(C(=O)NC3CCCCC3)nn2)CC1.
What is the InChIKey of N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile?
The InChIKey is HMCAXFOGIWBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C9H9NO/c22-12-13-8-10-21(11-9-13)16-7-6-15(19-20-16)17(23)18-14-4-2-1-3-5-14;1-7-5-9(11-2)4-3-8(7)6-10/h6-7,12-14H,1-5,8-11H2,(H,18,23);3-5H,1-2H3.
What are the key properties of N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile?
N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile has a molecular weight of 463.58 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(4-formylpiperidin-1-yl)pyridazine-3-carboxamide;4-methoxy-2-methylbenzonitrile is sourced from PubChem (CID 176986308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).