6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide

C30H34N6O4 — CID 90463089

IUPAC6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C30H34N6O4/c1-20-4-5-23(33-29(37)22-14-26(35-32-18-22)30(2,3)19-31)17-25(20)21-15-27(36-8-12-39-13-9-36)34-28(16-21)40-24-6-10-38-11-7-24/h4-5,14-18,24H,6-13H2,1-3H3,(H,33,37)
InChIKeyCEHTVFNNGVABII-UHFFFAOYSA-N
MW542.64 g/mol
LogP4.29
Rot. Bonds7

About 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide

6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide (PubChem CID 90463089) has the molecular formula C30H34N6O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
PubChem CID90463089
Molecular FormulaC30H34N6O4
Molecular Weight542.64 g/mol
Exact Mass542.26
IUPAC Name6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C30H34N6O4/c1-20-4-5-23(33-29(37)22-14-26(35-32-18-22)30(2,3)19-31)17-25(20)21-15-27(36-8-12-39-13-9-36)34-28(16-21)40-24-6-10-38-11-7-24/h4-5,14-18,24H,6-13H2,1-3H3,(H,33,37)
InChIKeyCEHTVFNNGVABII-UHFFFAOYSA-N
XLogP4.29
TPSA122.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide (CID 90463089) is 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is CEHTVFNNGVABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4/c1-20-4-5-23(33-29(37)22-14-26(35-32-18-22)30(2,3)19-31)17-25(20)21-15-27(36-8-12-39-13-9-36)34-28(16-21)40-24-6-10-38-11-7-24/h4-5,14-18,24H,6-13H2,1-3H3,(H,33,37).
What are the key properties of 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide?
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90463089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).