N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide

C16H18N4O2 — CID 131898619

IUPACN-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C16H18N4O2/c1-11(2)9-17-15(21)12-4-3-5-14(8-12)20-16(22)13-6-7-18-19-10-13/h3-8,10-11H,9H2,1-2H3,(H,17,21)(H,20,22)
InChIKeyBHWLVOBYTFUPHH-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.11
Rot. Bonds5

About N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide

N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide (PubChem CID 131898619) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
PubChem CID131898619
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C16H18N4O2/c1-11(2)9-17-15(21)12-4-3-5-14(8-12)20-16(22)13-6-7-18-19-10-13/h3-8,10-11H,9H2,1-2H3,(H,17,21)(H,20,22)
InChIKeyBHWLVOBYTFUPHH-UHFFFAOYSA-N
XLogP2.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
N-[3-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633764
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide (CID 131898619) is N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)c2ccnnc2)c1.
What is the InChIKey of N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is BHWLVOBYTFUPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)9-17-15(21)12-4-3-5-14(8-12)20-16(22)13-6-7-18-19-10-13/h3-8,10-11H,9H2,1-2H3,(H,17,21)(H,20,22).
What are the key properties of N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide?
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131898619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).