5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene

C18H24N4O2 — CID 168952712

IUPAC5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
SMILESC=C.COCCNc1ccc(N)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H20N4O2.C2H4/c1-22-8-7-19-15-5-4-13(17)9-14(15)16(21)20-11-12-3-2-6-18-10-12;1-2/h2-6,9-10,19H,7-8,11,17H2,1H3,(H,20,21);1-2H2
InChIKeyGIDACPLKKXUMRB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.45
Rot. Bonds7

About 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene

5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene (PubChem CID 168952712) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene.

Molecular Properties

Compound Name5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
PubChem CID168952712
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
SMILESC=C.COCCNc1ccc(N)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H20N4O2.C2H4/c1-22-8-7-19-15-5-4-13(17)9-14(15)16(21)20-11-12-3-2-6-18-10-12;1-2/h2-6,9-10,19H,7-8,11,17H2,1H3,(H,20,21);1-2H2
InChIKeyGIDACPLKKXUMRB-UHFFFAOYSA-N
XLogP2.45
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62185051
4-(2-methoxyethylamino)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 24512537
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
5-amino-N-(2-methoxyethyl)-2-(2-methylpropylamino)benzamide
CID 100638798
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene?
The IUPAC name of 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene (CID 168952712) is 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene.
What is the SMILES notation for 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene?
The canonical SMILES for 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene is C=C.COCCNc1ccc(N)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene?
The InChIKey is GIDACPLKKXUMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C2H4/c1-22-8-7-19-15-5-4-13(17)9-14(15)16(21)20-11-12-3-2-6-18-10-12;1-2/h2-6,9-10,19H,7-8,11,17H2,1H3,(H,20,21);1-2H2.
What are the key properties of 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene?
5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene has a molecular weight of 328.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene is sourced from PubChem (CID 168952712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).