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

C23H24N4O — CID 22478891

IUPAC(E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C23H24N4O/c24-20-10-4-5-11-21(20)27-23(28)15-13-19-12-14-22(26-17-19)25-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15,17H,6,9,16,24H2,(H,25,26)(H,27,28)/b15-13+
InChIKeyPIJUUVKCHQHHIX-FYWRMAATSA-N
MW372.47 g/mol
LogP4.36
Rot. Bonds8

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

(E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide (PubChem CID 22478891) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide
PubChem CID22478891
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C23H24N4O/c24-20-10-4-5-11-21(20)27-23(28)15-13-19-12-14-22(26-17-19)25-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15,17H,6,9,16,24H2,(H,25,26)(H,27,28)/b15-13+
InChIKeyPIJUUVKCHQHHIX-FYWRMAATSA-N
XLogP4.36
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide (CID 22478891) is (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide?
The InChIKey is PIJUUVKCHQHHIX-FYWRMAATSA-N. The full InChI is InChI=1S/C23H24N4O/c24-20-10-4-5-11-21(20)27-23(28)15-13-19-12-14-22(26-17-19)25-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15,17H,6,9,16,24H2,(H,25,26)(H,27,28)/b15-13+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[6-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 4.36, 8 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-(3-phenylpropylamino)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 22478891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).