N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H14N4O2 — CID 110794810

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(=O)[nH]n2)c(C)[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-5-9(8(2)14-7)6-13-12(18)10-3-4-11(17)16-15-10/h3-5,14H,6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHSCAVRJVOYUWEN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.64
Rot. Bonds3

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110794810) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110794810
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(=O)[nH]n2)c(C)[nH]1
InChIInChI=1S/C12H14N4O2/c1-7-5-9(8(2)14-7)6-13-12(18)10-3-4-11(17)16-15-10/h3-5,14H,6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyHSCAVRJVOYUWEN-UHFFFAOYSA-N
XLogP0.64
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110744921
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103896434
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide
CID 110641872

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110794810) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is Cc1cc(CNC(=O)c2ccc(=O)[nH]n2)c(C)[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HSCAVRJVOYUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-5-9(8(2)14-7)6-13-12(18)10-3-4-11(17)16-15-10/h3-5,14H,6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110794810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).