5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide

C22H21N5O — CID 142782500

IUPAC5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(C#N)C(C2(c3ccc(C)cn3)C=CC=C(C(N)=O)C2)C(C#N)=C(C)N1
InChIInChI=1S/C22H21N5O/c1-13-6-7-19(26-12-13)22(8-4-5-16(9-22)21(25)28)20-17(10-23)14(2)27-15(3)18(20)11-24/h4-8,12,20,27H,9H2,1-3H3,(H2,25,28)
InChIKeyYFURZJLDILTEDD-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.81
Rot. Bonds3

About 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide

5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142782500) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID142782500
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(C#N)C(C2(c3ccc(C)cn3)C=CC=C(C(N)=O)C2)C(C#N)=C(C)N1
InChIInChI=1S/C22H21N5O/c1-13-6-7-19(26-12-13)22(8-4-5-16(9-22)21(25)28)20-17(10-23)14(2)27-15(3)18(20)11-24/h4-8,12,20,27H,9H2,1-3H3,(H2,25,28)
InChIKeyYFURZJLDILTEDD-UHFFFAOYSA-N
XLogP2.81
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3236334
(2Z,6E)-4-tert-butyl-2,6-bis(pyridin-2-ylmethylene)cyclohexanone
CID 2059132
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CID 2881454

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide (CID 142782500) is 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide is CC1=C(C#N)C(C2(c3ccc(C)cn3)C=CC=C(C(N)=O)C2)C(C#N)=C(C)N1.
What is the InChIKey of 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is YFURZJLDILTEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-13-6-7-19(26-12-13)22(8-4-5-16(9-22)21(25)28)20-17(10-23)14(2)27-15(3)18(20)11-24/h4-8,12,20,27H,9H2,1-3H3,(H2,25,28).
What are the key properties of 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide?
5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142782500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).