6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide

C27H30N6O3 — CID 90460957

IUPAC6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C27H30N6O3/c1-5-36-26-23(33-8-10-35-11-9-33)12-19(15-29-26)22-14-21(7-6-18(22)2)31-25(34)20-13-24(32-30-16-20)27(3,4)17-28/h6-7,12-16H,5,8-11H2,1-4H3,(H,31,34)
InChIKeyBBYSQEOZCZKTEU-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.14
Rot. Bonds7

About 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide

6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide (PubChem CID 90460957) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide
PubChem CID90460957
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C27H30N6O3/c1-5-36-26-23(33-8-10-35-11-9-33)12-19(15-29-26)22-14-21(7-6-18(22)2)31-25(34)20-13-24(32-30-16-20)27(3,4)17-28/h6-7,12-16H,5,8-11H2,1-4H3,(H,31,34)
InChIKeyBBYSQEOZCZKTEU-UHFFFAOYSA-N
XLogP4.14
TPSA113.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide?
The IUPAC name of 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide (CID 90460957) is 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide?
The InChIKey is BBYSQEOZCZKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-5-36-26-23(33-8-10-35-11-9-33)12-19(15-29-26)22-14-21(7-6-18(22)2)31-25(34)20-13-24(32-30-16-20)27(3,4)17-28/h6-7,12-16H,5,8-11H2,1-4H3,(H,31,34).
What are the key properties of 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide?
6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90460957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).