4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C20H21N5O — CID 139548032

IUPAC4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C20H21N5O/c1-14(2)15-3-5-17(6-4-15)22-20(26)25-11-9-16(10-12-25)19-8-7-18(13-21)23-24-19/h3-9,14H,10-12H2,1-2H3,(H,22,26)
InChIKeyCKCYARQOWCGIDT-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.79
Rot. Bonds3

About 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 139548032) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID139548032
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C20H21N5O/c1-14(2)15-3-5-17(6-4-15)22-20(26)25-11-9-16(10-12-25)19-8-7-18(13-21)23-24-19/h3-9,14H,10-12H2,1-2H3,(H,22,26)
InChIKeyCKCYARQOWCGIDT-UHFFFAOYSA-N
XLogP3.79
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 139548032) is 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CC=C(c3ccc(C#N)nn3)CC2)cc1.
What is the InChIKey of 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is CKCYARQOWCGIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(2)15-3-5-17(6-4-15)22-20(26)25-11-9-16(10-12-25)19-8-7-18(13-21)23-24-19/h3-9,14H,10-12H2,1-2H3,(H,22,26).
What are the key properties of 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyanopyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 139548032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).