(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide

C17H16N4O — CID 108821570

IUPAC(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
SMILESCc1ccnc(N/C=C(/C#N)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H16N4O/c1-12-7-8-19-16(9-12)20-11-14(10-18)17(22)21-15-6-4-3-5-13(15)2/h3-9,11H,1-2H3,(H,19,20)(H,21,22)/b14-11-
InChIKeyPCRJPTJVAQGQQN-KAMYIIQDSA-N
MW292.34 g/mol
LogP3.16
Rot. Bonds4

About (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide

(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide (PubChem CID 108821570) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
PubChem CID108821570
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
SMILESCc1ccnc(N/C=C(/C#N)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C17H16N4O/c1-12-7-8-19-16(9-12)20-11-14(10-18)17(22)21-15-6-4-3-5-13(15)2/h3-9,11H,1-2H3,(H,19,20)(H,21,22)/b14-11-
InChIKeyPCRJPTJVAQGQQN-KAMYIIQDSA-N
XLogP3.16
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108843479
(Z)-3-[(4-bromo-2-pyridinyl)amino]-2-cyano-N-(2,3-dimethylphenyl)prop-2-enamide
CID 108857694
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108859805
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
4-[[(Z)-2-cyano-3-[(4-methyl-2-pyridinyl)amino]prop-2-enoyl]amino]benzoic acid
CID 108823435
(Z)-3-(2-amino-4-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821583
(Z)-2-cyano-N-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108828646
(Z)-N-(2-chlorophenyl)-3-[(4-chloro-2-pyridinyl)amino]-2-cyanoprop-2-enamide
CID 108824606
(Z)-3-[(4-chloro-2-pyridinyl)amino]-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824979
(Z)-2-cyano-N-(2-methylphenyl)-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108821488
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857823
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2-methylphenyl)prop-2-enamide
CID 108821585

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide (CID 108821570) is (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide is Cc1ccnc(N/C=C(/C#N)C(=O)Nc2ccccc2C)c1.
What is the InChIKey of (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The InChIKey is PCRJPTJVAQGQQN-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-7-8-19-16(9-12)20-11-14(10-18)17(22)21-15-6-4-3-5-13(15)2/h3-9,11H,1-2H3,(H,19,20)(H,21,22)/b14-11-.
What are the key properties of (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide is sourced from PubChem (CID 108821570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).