6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide

C20H21N7O3 — CID 118462848

IUPAC6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C)no2)c1C
InChIInChI=1S/C20H21N7O3/c1-10-13(20-22-11(2)27-30-20)5-4-6-14(10)23-15-9-16(24-18(28)12-7-8-12)25-26-17(15)19(29)21-3/h4-6,9,12H,7-8H2,1-3H3,(H,21,29)(H2,23,24,25,28)
InChIKeySCFDFIUJNXXPJN-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.60
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide (PubChem CID 118462848) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide
PubChem CID118462848
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C)no2)c1C
InChIInChI=1S/C20H21N7O3/c1-10-13(20-22-11(2)27-30-20)5-4-6-14(10)23-15-9-16(24-18(28)12-7-8-12)25-26-17(15)19(29)21-3/h4-6,9,12H,7-8H2,1-3H3,(H,21,29)(H2,23,24,25,28)
InChIKeySCFDFIUJNXXPJN-UHFFFAOYSA-N
XLogP2.60
TPSA134.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide (CID 118462848) is 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C)no2)c1C.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide?
The InChIKey is SCFDFIUJNXXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-10-13(20-22-11(2)27-30-20)5-4-6-14(10)23-15-9-16(24-18(28)12-7-8-12)25-26-17(15)19(29)21-3/h4-6,9,12H,7-8H2,1-3H3,(H,21,29)(H2,23,24,25,28).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-methyl-4-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 118462848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).