2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide

C19H22N4O — CID 68775072

IUPAC2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)c1ccc(-c2cncc(C#N)c2)cn1
InChIInChI=1S/C19H22N4O/c1-13(2)9-23-18(24)19(3,4)17-6-5-15(12-22-17)16-7-14(8-20)10-21-11-16/h5-7,10-13H,9H2,1-4H3,(H,23,24)
InChIKeyFDGDBSKGNJUAPU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.07
Rot. Bonds5

About 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide

2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 68775072) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID68775072
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)c1ccc(-c2cncc(C#N)c2)cn1
InChIInChI=1S/C19H22N4O/c1-13(2)9-23-18(24)19(3,4)17-6-5-15(12-22-17)16-7-14(8-20)10-21-11-16/h5-7,10-13H,9H2,1-4H3,(H,23,24)
InChIKeyFDGDBSKGNJUAPU-UHFFFAOYSA-N
XLogP3.07
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide (CID 68775072) is 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)(C)c1ccc(-c2cncc(C#N)c2)cn1.
What is the InChIKey of 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is FDGDBSKGNJUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)9-23-18(24)19(3,4)17-6-5-15(12-22-17)16-7-14(8-20)10-21-11-16/h5-7,10-13H,9H2,1-4H3,(H,23,24).
What are the key properties of 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide?
2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyano-3-pyridinyl)-2-pyridinyl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 68775072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).