3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide

C17H19N3O3 — CID 113009330

IUPAC3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cn1
InChIInChI=1S/C17H19N3O3/c1-4-7-18-16-6-5-13(11-19-16)20-17(21)12-8-14(22-2)10-15(9-12)23-3/h4-6,8-11H,1,7H2,2-3H3,(H,18,19)(H,20,21)
InChIKeyJWJNJOMJRDAYAX-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.95
Rot. Bonds7

About 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide

3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide (PubChem CID 113009330) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
PubChem CID113009330
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
SMILESC=CCNc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cn1
InChIInChI=1S/C17H19N3O3/c1-4-7-18-16-6-5-13(11-19-16)20-17(21)12-8-14(22-2)10-15(9-12)23-3/h4-6,8-11H,1,7H2,2-3H3,(H,18,19)(H,20,21)
InChIKeyJWJNJOMJRDAYAX-UHFFFAOYSA-N
XLogP2.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
methyl 4-[[6-(prop-2-enylamino)pyridine-3-carbonyl]amino]benzoate
CID 109151459
4-bromo-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009326
2-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]propanamide
CID 113009307
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
4-(diethylsulfamoyl)-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide
CID 113009351
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032259
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide (CID 113009330) is 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide is C=CCNc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cn1.
What is the InChIKey of 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
The InChIKey is JWJNJOMJRDAYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-7-18-16-6-5-13(11-19-16)20-17(21)12-8-14(22-2)10-15(9-12)23-3/h4-6,8-11H,1,7H2,2-3H3,(H,18,19)(H,20,21).
What are the key properties of 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide?
3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[6-(prop-2-enylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113009330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).