N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C22H24N4O — CID 44580000

IUPACN-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)18-6-8-19(9-7-18)25-21(27)16-10-13-26(14-11-16)20-17(15-23)5-4-12-24-20/h4-10,12H,11,13-14H2,1-3H3,(H,25,27)
InChIKeyKRLDPRAMPYKNKA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.03
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide

N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 44580000) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID44580000
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-22(2,3)18-6-8-19(9-7-18)25-21(27)16-10-13-26(14-11-16)20-17(15-23)5-4-12-24-20/h4-10,12H,11,13-14H2,1-3H3,(H,25,27)
InChIKeyKRLDPRAMPYKNKA-UHFFFAOYSA-N
XLogP4.03
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 44580000) is N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C#N)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is KRLDPRAMPYKNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-22(2,3)18-6-8-19(9-7-18)25-21(27)16-10-13-26(14-11-16)20-17(15-23)5-4-12-24-20/h4-10,12H,11,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-(3-cyano-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 44580000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).