N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C18H23N3O2 — CID 95617270

IUPACN-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1ccc(C[C@H](C)NC(=O)c2c(C)c(C)n[nH]c2=O)c(C)c1
InChIInChI=1S/C18H23N3O2/c1-10-6-7-15(11(2)8-10)9-12(3)19-17(22)16-13(4)14(5)20-21-18(16)23/h6-8,12H,9H2,1-5H3,(H,19,22)(H,21,23)/t12-/m0/s1
InChIKeyVFQWKXOVQZSJFM-LBPRGKRZSA-N
MW313.40 g/mol
LogP2.36
Rot. Bonds4

About N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 95617270) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID95617270
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1ccc(C[C@H](C)NC(=O)c2c(C)c(C)n[nH]c2=O)c(C)c1
InChIInChI=1S/C18H23N3O2/c1-10-6-7-15(11(2)8-10)9-12(3)19-17(22)16-13(4)14(5)20-21-18(16)23/h6-8,12H,9H2,1-5H3,(H,19,22)(H,21,23)/t12-/m0/s1
InChIKeyVFQWKXOVQZSJFM-LBPRGKRZSA-N
XLogP2.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 95617270) is N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1ccc(C[C@H](C)NC(=O)c2c(C)c(C)n[nH]c2=O)c(C)c1.
What is the InChIKey of N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is VFQWKXOVQZSJFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-10-6-7-15(11(2)8-10)9-12(3)19-17(22)16-13(4)14(5)20-21-18(16)23/h6-8,12H,9H2,1-5H3,(H,19,22)(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 95617270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).