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

C16H20N4O2 — CID 109109430

IUPACN-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NC(C)C)nn1
InChIInChI=1S/C16H20N4O2/c1-11(2)18-15-9-8-13(19-20-15)16(21)17-10-12-6-4-5-7-14(12)22-3/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeySTRPNXXFHFMTDP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 109109430) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
PubChem CID109109430
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NC(C)C)nn1
InChIInChI=1S/C16H20N4O2/c1-11(2)18-15-9-8-13(19-20-15)16(21)17-10-12-6-4-5-7-14(12)22-3/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeySTRPNXXFHFMTDP-UHFFFAOYSA-N
XLogP2.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109111374
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-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (CID 109109430) is N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(NC(C)C)nn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is STRPNXXFHFMTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)18-15-9-8-13(19-20-15)16(21)17-10-12-6-4-5-7-14(12)22-3/h4-9,11H,10H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).