[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate

C19H25N3O4 — CID 70516529

IUPAC[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate
SMILESCOc1ccc(-c2ccc(OC(=O)NCCCN(C)C)nc2)cc1OC
InChIInChI=1S/C19H25N3O4/c1-22(2)11-5-10-20-19(23)26-18-9-7-15(13-21-18)14-6-8-16(24-3)17(12-14)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyDNWTUYJBTUHVSQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.81
Rot. Bonds8

About [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate

[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate (PubChem CID 70516529) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate
PubChem CID70516529
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate
SMILESCOc1ccc(-c2ccc(OC(=O)NCCCN(C)C)nc2)cc1OC
InChIInChI=1S/C19H25N3O4/c1-22(2)11-5-10-20-19(23)26-18-9-7-15(13-21-18)14-6-8-16(24-3)17(12-14)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyDNWTUYJBTUHVSQ-UHFFFAOYSA-N
XLogP2.81
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate (CID 70516529) is [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate is COc1ccc(-c2ccc(OC(=O)NCCCN(C)C)nc2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate?
The InChIKey is DNWTUYJBTUHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-22(2)11-5-10-20-19(23)26-18-9-7-15(13-21-18)14-6-8-16(24-3)17(12-14)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,23).
What are the key properties of [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate?
[5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate has a molecular weight of 359.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-2-pyridinyl] N-[3-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 70516529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).