N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide

C23H22N4O2 — CID 139451574

IUPACN-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNC(=O)C(C#N)=C1c2ccccc2N(C)c2ccccc21
InChIInChI=1S/C23H22N4O2/c1-15(2)22(28)25-12-13-26-23(29)18(14-24)21-16-8-4-6-10-19(16)27(3)20-11-7-5-9-17(20)21/h4-11H,1,12-13H2,2-3H3,(H,25,28)(H,26,29)
InChIKeyUGLJTXUZQDCNDC-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide

N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide (PubChem CID 139451574) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide
PubChem CID139451574
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNC(=O)C(C#N)=C1c2ccccc2N(C)c2ccccc21
InChIInChI=1S/C23H22N4O2/c1-15(2)22(28)25-12-13-26-23(29)18(14-24)21-16-8-4-6-10-19(16)27(3)20-11-7-5-9-17(20)21/h4-11H,1,12-13H2,2-3H3,(H,25,28)(H,26,29)
InChIKeyUGLJTXUZQDCNDC-UHFFFAOYSA-N
XLogP2.90
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl 2-methylprop-2-enoate
CID 139451594
2-[[2-(10H-anthracen-9-ylidene)-2-cyanoacetyl]amino]ethyl 2-methylprop-2-enoate
CID 158492828
(2Z)-2-cyano-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]-2-thieno[2,3-b]thiochromen-4-ylideneacetamide
CID 155434714
2-[(2-cyano-2-thieno[2,3-b]thiochromen-4-ylideneacetyl)amino]ethyl 2-methylprop-2-enoate
CID 155655947
2-[[2-cyano-2-(3-methoxyxanthen-9-ylidene)acetyl]amino]ethyl 2-methylprop-2-enoate
CID 139451600
2-[[2-cyano-2-(5H-phenanthridin-6-ylidene)acetyl]amino]ethyl 2-methylprop-2-enoate
CID 155655946
2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetamide
CID 23790323
N-(2-amino-2-oxoethyl)-2-cyano-2-(1-hydroxyxanthen-9-ylidene)acetamide;2-methylprop-2-enoic acid
CID 175345081
(1,3-dioxoisoindol-2-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 101388898
CID 11130541
CID 11130541
(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
CID 2414305
ethyl 2-[[2-(10H-acridin-9-ylidene)-2-cyanoacetyl]amino]prop-2-enoate
CID 139451593

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide (CID 139451574) is N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNC(=O)C(C#N)=C1c2ccccc2N(C)c2ccccc21.
What is the InChIKey of N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is UGLJTXUZQDCNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(2)22(28)25-12-13-26-23(29)18(14-24)21-16-8-4-6-10-19(16)27(3)20-11-7-5-9-17(20)21/h4-11H,1,12-13H2,2-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide?
N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 386.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-cyano-2-(10-methylacridin-9-ylidene)acetyl]amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139451574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).