N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide

C15H19N5O — CID 62990589

IUPACN-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ccc(C)nc2)nn1
InChIInChI=1S/C15H19N5O/c1-3-8-16-14-7-6-13(19-20-14)15(21)18-10-12-5-4-11(2)17-9-12/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyRVJHEMVUBVEAHR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.93
Rot. Bonds6

About N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 62990589) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide
PubChem CID62990589
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ccc(C)nc2)nn1
InChIInChI=1S/C15H19N5O/c1-3-8-16-14-7-6-13(19-20-14)15(21)18-10-12-5-4-11(2)17-9-12/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyRVJHEMVUBVEAHR-UHFFFAOYSA-N
XLogP1.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 106408427
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
5-(methylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107375550
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
6-methyl-N-propylpyridazine-3-carboxamide
CID 110705181
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106342494
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121100

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide (CID 62990589) is N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCc2ccc(C)nc2)nn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is RVJHEMVUBVEAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-8-16-14-7-6-13(19-20-14)15(21)18-10-12-5-4-11(2)17-9-12/h4-7,9H,3,8,10H2,1-2H3,(H,16,20)(H,18,21).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62990589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).