2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide

C16H19N5O4 — CID 170453016

IUPAC2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(OC)nc(C(C(N)=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C16H19N5O4/c1-21(2)16(23)9-6-5-7-18-13(9)12(14(17)22)15-19-10(24-3)8-11(20-15)25-4/h5-8,12H,1-4H3,(H2,17,22)
InChIKeyPKNRVLHQMNCTCG-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.21
Rot. Bonds6

About 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide

2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 170453016) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID170453016
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cc(OC)nc(C(C(N)=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C16H19N5O4/c1-21(2)16(23)9-6-5-7-18-13(9)12(14(17)22)15-19-10(24-3)8-11(20-15)25-4/h5-8,12H,1-4H3,(H2,17,22)
InChIKeyPKNRVLHQMNCTCG-UHFFFAOYSA-N
XLogP0.21
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide (CID 170453016) is 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide is COc1cc(OC)nc(C(C(N)=O)c2ncccc2C(=O)N(C)C)n1.
What is the InChIKey of 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is PKNRVLHQMNCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-21(2)16(23)9-6-5-7-18-13(9)12(14(17)22)15-19-10(24-3)8-11(20-15)25-4/h5-8,12H,1-4H3,(H2,17,22).
What are the key properties of 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide?
2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(4,6-dimethoxypyrimidin-2-yl)-2-oxoethyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 170453016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).