1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C24H22N6O2 — CID 56641762

IUPAC1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N/C=C(\Nn2c(C)cc(C)c(C#N)c2=O)c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C24H22N6O2/c1-15-10-17(3)29(23(31)20(15)12-25)27-14-22(19-8-6-5-7-9-19)28-30-18(4)11-16(2)21(13-26)24(30)32/h5-11,14,27-28H,1-4H3/b22-14-
InChIKeyBBBRZODPVYTKHQ-HMAPJEAMSA-N
MW426.48 g/mol
LogP2.77
Rot. Bonds5

About 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 56641762) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID56641762
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N/C=C(\Nn2c(C)cc(C)c(C#N)c2=O)c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C24H22N6O2/c1-15-10-17(3)29(23(31)20(15)12-25)27-14-22(19-8-6-5-7-9-19)28-30-18(4)11-16(2)21(13-26)24(30)32/h5-11,14,27-28H,1-4H3/b22-14-
InChIKeyBBBRZODPVYTKHQ-HMAPJEAMSA-N
XLogP2.77
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 56641762) is 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(N/C=C(\Nn2c(C)cc(C)c(C#N)c2=O)c2ccccc2)c(=O)c1C#N.
What is the InChIKey of 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BBBRZODPVYTKHQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-10-17(3)29(23(31)20(15)12-25)27-14-22(19-8-6-5-7-9-19)28-30-18(4)11-16(2)21(13-26)24(30)32/h5-11,14,27-28H,1-4H3/b22-14-.
What are the key properties of 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 426.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-2-phenylethenyl]amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 56641762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).