N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide

C20H27N3O4 — CID 139371221

IUPACN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc(OC)c(CN(C)C)c(OC)c2)cn(C)c1=O
InChIInChI=1S/C20H27N3O4/c1-7-19(24)21-16-8-14(11-23(4)20(16)25)13-9-17(26-5)15(12-22(2)3)18(10-13)27-6/h8-11H,7,12H2,1-6H3,(H,21,24)
InChIKeyBBJQMZKIIPTMAK-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.48
Rot. Bonds7

About N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide

N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide (PubChem CID 139371221) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide
PubChem CID139371221
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc(OC)c(CN(C)C)c(OC)c2)cn(C)c1=O
InChIInChI=1S/C20H27N3O4/c1-7-19(24)21-16-8-14(11-23(4)20(16)25)13-9-17(26-5)15(12-22(2)3)18(10-13)27-6/h8-11H,7,12H2,1-6H3,(H,21,24)
InChIKeyBBJQMZKIIPTMAK-UHFFFAOYSA-N
XLogP2.48
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide (CID 139371221) is N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide is CCC(=O)Nc1cc(-c2cc(OC)c(CN(C)C)c(OC)c2)cn(C)c1=O.
What is the InChIKey of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide?
The InChIKey is BBJQMZKIIPTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-7-19(24)21-16-8-14(11-23(4)20(16)25)13-9-17(26-5)15(12-22(2)3)18(10-13)27-6/h8-11H,7,12H2,1-6H3,(H,21,24).
What are the key properties of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide?
N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]propanamide is sourced from PubChem (CID 139371221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).