6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide

C14H13ClN6O — CID 86689794

IUPAC6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
SMILESCC(C)(C#N)c1cccc(Nc2cc(Cl)nnc2C(N)=O)n1
InChIInChI=1S/C14H13ClN6O/c1-14(2,7-16)9-4-3-5-11(19-9)18-8-6-10(15)20-21-12(8)13(17)22/h3-6H,1-2H3,(H2,17,22)(H,18,19,20)
InChIKeyKIVYFRWOPOTLNP-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.17
Rot. Bonds4

About 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide

6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide (PubChem CID 86689794) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
PubChem CID86689794
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC Name6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
SMILESCC(C)(C#N)c1cccc(Nc2cc(Cl)nnc2C(N)=O)n1
InChIInChI=1S/C14H13ClN6O/c1-14(2,7-16)9-4-3-5-11(19-9)18-8-6-10(15)20-21-12(8)13(17)22/h3-6H,1-2H3,(H2,17,22)(H,18,19,20)
InChIKeyKIVYFRWOPOTLNP-UHFFFAOYSA-N
XLogP2.17
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide (CID 86689794) is 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide is CC(C)(C#N)c1cccc(Nc2cc(Cl)nnc2C(N)=O)n1.
What is the InChIKey of 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
The InChIKey is KIVYFRWOPOTLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c1-14(2,7-16)9-4-3-5-11(19-9)18-8-6-10(15)20-21-12(8)13(17)22/h3-6H,1-2H3,(H2,17,22)(H,18,19,20).
What are the key properties of 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 86689794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).