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

C21H29N3O4 — CID 139371134

IUPACN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1c(C)c(-c2cc(OC)c(CN(C)C)c(OC)c2)cn(C)c1=O
InChIInChI=1S/C21H29N3O4/c1-8-19(25)22-20-13(2)15(12-24(5)21(20)26)14-9-17(27-6)16(11-23(3)4)18(10-14)28-7/h9-10,12H,8,11H2,1-7H3,(H,22,25)
InChIKeyQGJPFBOTKTYAJS-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.79
Rot. Bonds7

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

N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide (PubChem CID 139371134) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide
PubChem CID139371134
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1c(C)c(-c2cc(OC)c(CN(C)C)c(OC)c2)cn(C)c1=O
InChIInChI=1S/C21H29N3O4/c1-8-19(25)22-20-13(2)15(12-24(5)21(20)26)14-9-17(27-6)16(11-23(3)4)18(10-14)28-7/h9-10,12H,8,11H2,1-7H3,(H,22,25)
InChIKeyQGJPFBOTKTYAJS-UHFFFAOYSA-N
XLogP2.79
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.79
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]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide (CID 139371134) is N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide is CCC(=O)Nc1c(C)c(-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]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide?
The InChIKey is QGJPFBOTKTYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-8-19(25)22-20-13(2)15(12-24(5)21(20)26)14-9-17(27-6)16(11-23(3)4)18(10-14)28-7/h9-10,12H,8,11H2,1-7H3,(H,22,25).
What are the key properties of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide?
N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 2.79, 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]-1,4-dimethyl-2-oxo-3-pyridinyl]propanamide is sourced from PubChem (CID 139371134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).