(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide

C19H27N5O — CID 108818079

IUPAC(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide
SMILESCC1(C)CC(N/C=C(/C#N)C(=O)Nc2ccc(N)cc2)CC(C)(C)N1
InChIInChI=1S/C19H27N5O/c1-18(2)9-16(10-19(3,4)24-18)22-12-13(11-20)17(25)23-15-7-5-14(21)6-8-15/h5-8,12,16,22,24H,9-10,21H2,1-4H3,(H,23,25)/b13-12-
InChIKeyGPKMDAMKUALAIZ-SEYXRHQNSA-N
MW341.46 g/mol
LogP2.51
Rot. Bonds4

About (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide

(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide (PubChem CID 108818079) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide
PubChem CID108818079
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide
SMILESCC1(C)CC(N/C=C(/C#N)C(=O)Nc2ccc(N)cc2)CC(C)(C)N1
InChIInChI=1S/C19H27N5O/c1-18(2)9-16(10-19(3,4)24-18)22-12-13(11-20)17(25)23-15-7-5-14(21)6-8-15/h5-8,12,16,22,24H,9-10,21H2,1-4H3,(H,23,25)/b13-12-
InChIKeyGPKMDAMKUALAIZ-SEYXRHQNSA-N
XLogP2.51
TPSA102.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide with MolForge

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Related Compounds

(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide
CID 108827773
(Z)-2-cyano-3-(cyclopropylamino)-N-(4-methylphenyl)prop-2-enamide
CID 108817434
(Z)-2-cyano-3-(cyclopentylamino)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 108820576
(Z)-N-(4-aminophenyl)-2-cyano-3-(propylamino)prop-2-enamide
CID 108817925
(Z)-2-cyano-3-(cycloheptylamino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828602
4-[[(Z)-3-(4-aminoanilino)-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819038
(Z)-N-(4-aminophenyl)-3-(4-bromo-3-methylanilino)-2-cyanoprop-2-enamide
CID 108818217
ethyl 2-[[(Z)-3-(4-aminoanilino)-2-cyano-3-oxoprop-1-enyl]amino]acetate
CID 108818236
4-[[(Z)-3-[(4-aminobenzoyl)amino]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823379
(Z)-N-(4-aminophenyl)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enamide
CID 108818132
4-amino-N-[(Z)-2-cyano-3-oxo-3-(4-propan-2-ylanilino)prop-1-enyl]benzamide
CID 108820768
(Z)-N-(4-aminophenyl)-3-[(5-bromo-2-pyridinyl)amino]-2-cyanoprop-2-enamide
CID 108818266

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide?
The IUPAC name of (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide (CID 108818079) is (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide?
The canonical SMILES for (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide is CC1(C)CC(N/C=C(/C#N)C(=O)Nc2ccc(N)cc2)CC(C)(C)N1.
What is the InChIKey of (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide?
The InChIKey is GPKMDAMKUALAIZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C19H27N5O/c1-18(2)9-16(10-19(3,4)24-18)22-12-13(11-20)17(25)23-15-7-5-14(21)6-8-15/h5-8,12,16,22,24H,9-10,21H2,1-4H3,(H,23,25)/b13-12-.
What are the key properties of (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide?
(Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide has a molecular weight of 341.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-aminophenyl)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-2-enamide is sourced from PubChem (CID 108818079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).