N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide

C13H14N4O2 — CID 104669190

IUPACN-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
SMILESCOc1ccc(N)cc1CNC(=O)c1ccnnc1
InChIInChI=1S/C13H14N4O2/c1-19-12-3-2-11(14)6-10(12)7-15-13(18)9-4-5-16-17-8-9/h2-6,8H,7,14H2,1H3,(H,15,18)
InChIKeyNTLGTHJTBBDQQQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.00
Rot. Bonds4

About N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide

N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide (PubChem CID 104669190) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
PubChem CID104669190
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
SMILESCOc1ccc(N)cc1CNC(=O)c1ccnnc1
InChIInChI=1S/C13H14N4O2/c1-19-12-3-2-11(14)6-10(12)7-15-13(18)9-4-5-16-17-8-9/h2-6,8H,7,14H2,1H3,(H,15,18)
InChIKeyNTLGTHJTBBDQQQ-UHFFFAOYSA-N
XLogP1.00
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 54903114
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
2-[(5-amino-2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 61014190
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
N-[(5-amino-2-methoxyphenyl)methyl]oxane-2-carboxamide
CID 55048276
1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 61014070

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide (CID 104669190) is N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide is COc1ccc(N)cc1CNC(=O)c1ccnnc1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide?
The InChIKey is NTLGTHJTBBDQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-12-3-2-11(14)6-10(12)7-15-13(18)9-4-5-16-17-8-9/h2-6,8H,7,14H2,1H3,(H,15,18).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide?
N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104669190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).