N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

C17H21N5O — CID 109113007

IUPACN-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C17H21N5O/c23-17(20-14-6-2-1-3-7-14)15-8-9-16(22-21-15)19-12-13-5-4-10-18-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,19,22)(H,20,23)
InChIKeyVROHEDBDPPWCQR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.55
Rot. Bonds5

About N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109113007) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109113007
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C17H21N5O/c23-17(20-14-6-2-1-3-7-14)15-8-9-16(22-21-15)19-12-13-5-4-10-18-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,19,22)(H,20,23)
InChIKeyVROHEDBDPPWCQR-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113042141
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (CID 109113007) is N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(NCc2cccnc2)nn1.
What is the InChIKey of N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is VROHEDBDPPWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(20-14-6-2-1-3-7-14)15-8-9-16(22-21-15)19-12-13-5-4-10-18-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,19,22)(H,20,23).
What are the key properties of N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).