[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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Related Compounds

2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
(3-Pyridylmethylene)tetrahydronaphthalene 17a
CID 6539778
5-(3,4-Dimethoxyphenyl)-4-(phenylamino)pyridine-3-carbonitrile
CID 24859982
3-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)acrylamide
CID 1506585
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[4-(4-Methoxy-phenyl)-1-pyridin-3-ylmethyl-piperidin-4-yl]-acetamide
CID 6487780
(3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine hydrochloride
CID 24746772
(2-Benzo[1,3]dioxol-5-yl-ethyl)pyridin-3-yl-methylamine oxalate
CID 24746781
2-amino-6-(3,4-dimethoxyphenethyl)-7-methyl-5-oxo-4-(pyridin-4-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661995
methyl 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3238697
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 11081493

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).