N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

C15H19N5O — CID 109110806

IUPACN-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C15H19N5O/c1-2-3-8-17-15(21)13-4-5-14(20-19-13)18-11-12-6-9-16-10-7-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,17,21)(H,18,20)
InChIKeyBOJHOUGEWFGSTC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds7

About N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109110806) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109110806
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(NCc2ccncc2)nn1
InChIInChI=1S/C15H19N5O/c1-2-3-8-17-15(21)13-4-5-14(20-19-13)18-11-12-6-9-16-10-7-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,17,21)(H,18,20)
InChIKeyBOJHOUGEWFGSTC-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109114110
6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
CID 109118268
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (CID 109110806) is N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is CCCCNC(=O)c1ccc(NCc2ccncc2)nn1.
What is the InChIKey of N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is BOJHOUGEWFGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-8-17-15(21)13-4-5-14(20-19-13)18-11-12-6-9-16-10-7-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).