6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide

C17H22N4O2 — CID 109111374

IUPAC6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCc2ccccc2OC)nn1
InChIInChI=1S/C17H22N4O2/c1-4-12(2)19-16-10-9-14(20-21-16)17(22)18-11-13-7-5-6-8-15(13)23-3/h5-10,12H,4,11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyWNEACCHATCLPKE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.63
Rot. Bonds7

About 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide

6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109111374) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109111374
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)NCc2ccccc2OC)nn1
InChIInChI=1S/C17H22N4O2/c1-4-12(2)19-16-10-9-14(20-21-16)17(22)18-11-13-7-5-6-8-15(13)23-3/h5-10,12H,4,11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyWNEACCHATCLPKE-UHFFFAOYSA-N
XLogP2.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109430
6-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120146
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 113200156
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109119978
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
CID 2713290
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide (CID 109111374) is 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide is CCC(C)Nc1ccc(C(=O)NCc2ccccc2OC)nn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is WNEACCHATCLPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(2)19-16-10-9-14(20-21-16)17(22)18-11-13-7-5-6-8-15(13)23-3/h5-10,12H,4,11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide?
6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109111374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).