(E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide

C21H18N2O — CID 164627025

IUPAC(E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)NC1CC1
InChIInChI=1S/C21H18N2O/c24-21(23-19-8-9-19)10-7-16-11-12-22-14-20(16)18-6-5-15-3-1-2-4-17(15)13-18/h1-7,10-14,19H,8-9H2,(H,23,24)/b10-7+
InChIKeyLHNXWCQZYRHKCS-JXMROGBWSA-N
MW314.39 g/mol
LogP4.19
Rot. Bonds4

About (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide

(E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (PubChem CID 164627025) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
PubChem CID164627025
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)NC1CC1
InChIInChI=1S/C21H18N2O/c24-21(23-19-8-9-19)10-7-16-11-12-22-14-20(16)18-6-5-15-3-1-2-4-17(15)13-18/h1-7,10-14,19H,8-9H2,(H,23,24)/b10-7+
InChIKeyLHNXWCQZYRHKCS-JXMROGBWSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (CID 164627025) is (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is O=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The InChIKey is LHNXWCQZYRHKCS-JXMROGBWSA-N. The full InChI is InChI=1S/C21H18N2O/c24-21(23-19-8-9-19)10-7-16-11-12-22-14-20(16)18-6-5-15-3-1-2-4-17(15)13-18/h1-7,10-14,19H,8-9H2,(H,23,24)/b10-7+.
What are the key properties of (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 164627025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).