N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide

C18H21N3O2 — CID 91322862

IUPACN-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
SMILESCC=C(CC)ONC(=O)c1ccccc1NCc1ccncc1
InChIInChI=1S/C18H21N3O2/c1-3-15(4-2)23-21-18(22)16-7-5-6-8-17(16)20-13-14-9-11-19-12-10-14/h3,5-12,20H,4,13H2,1-2H3,(H,21,22)
InChIKeyVIHTWMPTVJTQPU-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.67
Rot. Bonds7

About N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide

N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 91322862) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID91322862
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
SMILESCC=C(CC)ONC(=O)c1ccccc1NCc1ccncc1
InChIInChI=1S/C18H21N3O2/c1-3-15(4-2)23-21-18(22)16-7-5-6-8-17(16)20-13-14-9-11-19-12-10-14/h3,5-12,20H,4,13H2,1-2H3,(H,21,22)
InChIKeyVIHTWMPTVJTQPU-UHFFFAOYSA-N
XLogP3.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978

Frequently Asked Questions

What is the IUPAC name of N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide (CID 91322862) is N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide is CC=C(CC)ONC(=O)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is VIHTWMPTVJTQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-15(4-2)23-21-18(22)16-7-5-6-8-17(16)20-13-14-9-11-19-12-10-14/h3,5-12,20H,4,13H2,1-2H3,(H,21,22).
What are the key properties of N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide?
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 91322862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).