3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide

C21H29N3O3 — CID 53186132

IUPAC3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide
SMILESCCN(CC)c1cc(CCC(=O)NCc2cccc(OC)c2OC)ccn1
InChIInChI=1S/C21H29N3O3/c1-5-24(6-2)19-14-16(12-13-22-19)10-11-20(25)23-15-17-8-7-9-18(26-3)21(17)27-4/h7-9,12-14H,5-6,10-11,15H2,1-4H3,(H,23,25)
InChIKeyANIYLOXOYBTYFQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.19
Rot. Bonds10

About 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide

3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide (PubChem CID 53186132) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide
PubChem CID53186132
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide
SMILESCCN(CC)c1cc(CCC(=O)NCc2cccc(OC)c2OC)ccn1
InChIInChI=1S/C21H29N3O3/c1-5-24(6-2)19-14-16(12-13-22-19)10-11-20(25)23-15-17-8-7-9-18(26-3)21(17)27-4/h7-9,12-14H,5-6,10-11,15H2,1-4H3,(H,23,25)
InChIKeyANIYLOXOYBTYFQ-UHFFFAOYSA-N
XLogP3.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide (CID 53186132) is 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide is CCN(CC)c1cc(CCC(=O)NCc2cccc(OC)c2OC)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide?
The InChIKey is ANIYLOXOYBTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-24(6-2)19-14-16(12-13-22-19)10-11-20(25)23-15-17-8-7-9-18(26-3)21(17)27-4/h7-9,12-14H,5-6,10-11,15H2,1-4H3,(H,23,25).
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide?
3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-N-[(2,3-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 53186132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).