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

C19H25N3O4 — CID 139371043

IUPACN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCOc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc(OC)c1CN(C)C
InChIInChI=1S/C19H25N3O4/c1-12(23)20-16-7-14(10-22(4)19(16)24)13-8-17(25-5)15(11-21(2)3)18(9-13)26-6/h7-10H,11H2,1-6H3,(H,20,23)
InChIKeyDSKYROFOFDZWJF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.09
Rot. Bonds6

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

N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide (PubChem CID 139371043) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide
PubChem CID139371043
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCOc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc(OC)c1CN(C)C
InChIInChI=1S/C19H25N3O4/c1-12(23)20-16-7-14(10-22(4)19(16)24)13-8-17(25-5)15(11-21(2)3)18(9-13)26-6/h7-10H,11H2,1-6H3,(H,20,23)
InChIKeyDSKYROFOFDZWJF-UHFFFAOYSA-N
XLogP2.09
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.09
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]acetamide?
The IUPAC name of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide (CID 139371043) is N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide is COc1cc(-c2cc(NC(C)=O)c(=O)n(C)c2)cc(OC)c1CN(C)C.
What is the InChIKey of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
The InChIKey is DSKYROFOFDZWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(23)20-16-7-14(10-22(4)19(16)24)13-8-17(25-5)15(11-21(2)3)18(9-13)26-6/h7-10H,11H2,1-6H3,(H,20,23).
What are the key properties of N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide?
N-[5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-1-methyl-2-oxo-3-pyridinyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 2.09, 6 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]acetamide is sourced from PubChem (CID 139371043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).