6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide

C14H12ClN5O2 — CID 90134957

IUPAC6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1cccc(C#N)c1OC
InChIInChI=1S/C14H12ClN5O2/c1-17-14(21)12-10(6-11(15)19-20-12)18-9-5-3-4-8(7-16)13(9)22-2/h3-6H,1-2H3,(H,17,21)(H,18,19)
InChIKeyHHRAWPYMZSGGOL-UHFFFAOYSA-N
MW317.74 g/mol
LogP2.11
Rot. Bonds4

About 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide

6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 90134957) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
PubChem CID90134957
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC Name6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Cl)cc1Nc1cccc(C#N)c1OC
InChIInChI=1S/C14H12ClN5O2/c1-17-14(21)12-10(6-11(15)19-20-12)18-9-5-3-4-8(7-16)13(9)22-2/h3-6H,1-2H3,(H,17,21)(H,18,19)
InChIKeyHHRAWPYMZSGGOL-UHFFFAOYSA-N
XLogP2.11
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide (CID 90134957) is 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(Cl)cc1Nc1cccc(C#N)c1OC.
What is the InChIKey of 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is HHRAWPYMZSGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c1-17-14(21)12-10(6-11(15)19-20-12)18-9-5-3-4-8(7-16)13(9)22-2/h3-6H,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide?
6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 317.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-cyano-2-methoxyanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 90134957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).