(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide

C17H13N5O — CID 108826838

IUPAC(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
SMILESCc1ccc(N/C=C(/C#N)C(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C17H13N5O/c1-12-6-7-15(11-20-12)21-10-14(9-19)17(23)22-16-5-3-2-4-13(16)8-18/h2-7,10-11,21H,1H3,(H,22,23)/b14-10-
InChIKeyARFHVOFOKPVVQP-UVTDQMKNSA-N
MW303.33 g/mol
LogP2.72
Rot. Bonds4

About (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide

(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide (PubChem CID 108826838) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
PubChem CID108826838
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
SMILESCc1ccc(N/C=C(/C#N)C(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C17H13N5O/c1-12-6-7-15(11-20-12)21-10-14(9-19)17(23)22-16-5-3-2-4-13(16)8-18/h2-7,10-11,21H,1H3,(H,22,23)/b14-10-
InChIKeyARFHVOFOKPVVQP-UVTDQMKNSA-N
XLogP2.72
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]-N-(2-nitrophenyl)prop-2-enamide
CID 108816772
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108859903
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108829065
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
CID 108826840
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108858434
ethyl 4-[[(Z)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]prop-2-enoyl]amino]benzoate
CID 108824230
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108826583
(Z)-2-cyano-N-(2-methoxy-4-nitrophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108852839
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108826655
2-[[(Z)-2-cyano-3-[(6-methyl-3-pyridinyl)amino]prop-2-enoyl]amino]propanoic acid
CID 108845016
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide
CID 108826578
(Z)-2-cyano-N-(2-cyanophenyl)-3-(4-iodo-2-methylanilino)prop-2-enamide
CID 108826607

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide (CID 108826838) is (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide is Cc1ccc(N/C=C(/C#N)C(=O)Nc2ccccc2C#N)cn1.
What is the InChIKey of (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide?
The InChIKey is ARFHVOFOKPVVQP-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-6-7-15(11-20-12)21-10-14(9-19)17(23)22-16-5-3-2-4-13(16)8-18/h2-7,10-11,21H,1H3,(H,22,23)/b14-10-.
What are the key properties of (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide?
(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide has a molecular weight of 303.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide is sourced from PubChem (CID 108826838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).