3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide

C17H21N3O3 — CID 113023443

IUPAC3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
SMILESCCCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C17H21N3O3/c1-4-9-18-13-6-8-16(19-11-13)20-17(21)12-5-7-14(22-2)15(10-12)23-3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyVWQGNYDWQXNOEN-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.17
Rot. Bonds7

About 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide

3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide (PubChem CID 113023443) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
PubChem CID113023443
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
SMILESCCCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C17H21N3O3/c1-4-9-18-13-6-8-16(19-11-13)20-17(21)12-5-7-14(22-2)15(10-12)23-3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyVWQGNYDWQXNOEN-UHFFFAOYSA-N
XLogP3.17
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide (CID 113023443) is 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide is CCCNc1ccc(NC(=O)c2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide?
The InChIKey is VWQGNYDWQXNOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-9-18-13-6-8-16(19-11-13)20-17(21)12-5-7-14(22-2)15(10-12)23-3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide?
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113023443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).