N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C18H23N5O — CID 109120685

IUPACN-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H23N5O/c24-18(21-14-7-3-1-2-4-8-14)16-10-11-17(23-22-16)20-13-15-9-5-6-12-19-15/h5-6,9-12,14H,1-4,7-8,13H2,(H,20,23)(H,21,24)
InChIKeyWVVUJDXDTRKSTM-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.94
Rot. Bonds5

About N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120685) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120685
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H23N5O/c24-18(21-14-7-3-1-2-4-8-14)16-10-11-17(23-22-16)20-13-15-9-5-6-12-19-15/h5-6,9-12,14H,1-4,7-8,13H2,(H,20,23)(H,21,24)
InChIKeyWVVUJDXDTRKSTM-UHFFFAOYSA-N
XLogP2.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120685) is N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is WVVUJDXDTRKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(21-14-7-3-1-2-4-8-14)16-10-11-17(23-22-16)20-13-15-9-5-6-12-19-15/h5-6,9-12,14H,1-4,7-8,13H2,(H,20,23)(H,21,24).
What are the key properties of N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).