3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide

C15H16N4O4 — CID 18462479

IUPAC3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1cc(OC)nc(C(=O)c2cccnc2C(=O)N(C)C)n1
InChIInChI=1S/C15H16N4O4/c1-19(2)15(21)12-9(6-5-7-16-12)13(20)14-17-10(22-3)8-11(18-14)23-4/h5-8H,1-4H3
InChIKeyURKQQLBPMJROAQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.82
Rot. Bonds5

About 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide

3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 18462479) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID18462479
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide
SMILESCOc1cc(OC)nc(C(=O)c2cccnc2C(=O)N(C)C)n1
InChIInChI=1S/C15H16N4O4/c1-19(2)15(21)12-9(6-5-7-16-12)13(20)14-17-10(22-3)8-11(18-14)23-4/h5-8H,1-4H3
InChIKeyURKQQLBPMJROAQ-UHFFFAOYSA-N
XLogP0.82
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide (CID 18462479) is 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide is COc1cc(OC)nc(C(=O)c2cccnc2C(=O)N(C)C)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is URKQQLBPMJROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-19(2)15(21)12-9(6-5-7-16-12)13(20)14-17-10(22-3)8-11(18-14)23-4/h5-8H,1-4H3.
What are the key properties of 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide?
3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 18462479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).