(E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide

C21H20N4O — CID 22478932

IUPAC(E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C21H20N4O/c22-18-8-4-5-9-19(18)25-21(26)13-11-17-10-12-20(24-15-17)23-14-16-6-2-1-3-7-16/h1-13,15H,14,22H2,(H,23,24)(H,25,26)/b13-11+
InChIKeyOAAMYQXWVBCJOH-ACCUITESSA-N
MW344.42 g/mol
LogP3.93
Rot. Bonds6

About (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide (PubChem CID 22478932) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide
PubChem CID22478932
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C21H20N4O/c22-18-8-4-5-9-19(18)25-21(26)13-11-17-10-12-20(24-15-17)23-14-16-6-2-1-3-7-16/h1-13,15H,14,22H2,(H,23,24)(H,25,26)/b13-11+
InChIKeyOAAMYQXWVBCJOH-ACCUITESSA-N
XLogP3.93
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mocetinostat
CID 9865515
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Prt-060318
CID 11493841
Asp-5854
CID 24810000
N-(pyridin-2-yl)benzamide
CID 219990
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64
CID 5330250
3-Methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
CID 91827383
Cdk12-IN-2
CID 134813906
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide (CID 22478932) is (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide?
The InChIKey is OAAMYQXWVBCJOH-ACCUITESSA-N. The full InChI is InChI=1S/C21H20N4O/c22-18-8-4-5-9-19(18)25-21(26)13-11-17-10-12-20(24-15-17)23-14-16-6-2-1-3-7-16/h1-13,15H,14,22H2,(H,23,24)(H,25,26)/b13-11+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide has a molecular weight of 344.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[6-(benzylamino)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 22478932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).