5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide

C18H21N3O2 — CID 109180272

IUPAC5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NCCc2ccc(OC)cc2)cn1
InChIInChI=1S/C18H21N3O2/c1-3-11-20-18(22)17-9-6-15(13-21-17)19-12-10-14-4-7-16(23-2)8-5-14/h3-9,13,19H,1,10-12H2,2H3,(H,20,22)
InChIKeyRPVVRORCLNDWQR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.66
Rot. Bonds8

About 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide

5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180272) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180272
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(NCCc2ccc(OC)cc2)cn1
InChIInChI=1S/C18H21N3O2/c1-3-11-20-18(22)17-9-6-15(13-21-17)19-12-10-14-4-7-16(23-2)8-5-14/h3-9,13,19H,1,10-12H2,2H3,(H,20,22)
InChIKeyRPVVRORCLNDWQR-UHFFFAOYSA-N
XLogP2.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180300
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109180664
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrazine-2-carboxamide
CID 109271987
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180434

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide (CID 109180272) is 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(NCCc2ccc(OC)cc2)cn1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is RPVVRORCLNDWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-11-20-18(22)17-9-6-15(13-21-17)19-12-10-14-4-7-16(23-2)8-5-14/h3-9,13,19H,1,10-12H2,2H3,(H,20,22).
What are the key properties of 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide?
5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).