3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide

C20H27N3O4 — CID 113015219

IUPAC3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C20H27N3O4/c1-5-6-7-10-21-18-9-8-15(13-22-18)23-20(24)14-11-16(25-2)19(27-4)17(12-14)26-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyDOXKFQXTDUFKBK-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.96
Rot. Bonds10

About 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide

3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide (PubChem CID 113015219) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
PubChem CID113015219
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C20H27N3O4/c1-5-6-7-10-21-18-9-8-15(13-22-18)23-20(24)14-11-16(25-2)19(27-4)17(12-14)26-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyDOXKFQXTDUFKBK-UHFFFAOYSA-N
XLogP3.96
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide (CID 113015219) is 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide is CCCCCNc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide?
The InChIKey is DOXKFQXTDUFKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-5-6-7-10-21-18-9-8-15(13-22-18)23-20(24)14-11-16(25-2)19(27-4)17(12-14)26-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide?
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide has a molecular weight of 373.45 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113015219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).