2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide

C15H24N4O3 — CID 56701847

IUPAC2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCC2CCCN(C)C2)nc(OC)n1
InChIInChI=1S/C15H24N4O3/c1-19-8-4-5-11(10-19)6-7-16-14(20)12-9-13(21-2)18-15(17-12)22-3/h9,11H,4-8,10H2,1-3H3,(H,16,20)
InChIKeyCXGDGQBEMAZWOD-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.96
Rot. Bonds6

About 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide

2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 56701847) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID56701847
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCC2CCCN(C)C2)nc(OC)n1
InChIInChI=1S/C15H24N4O3/c1-19-8-4-5-11(10-19)6-7-16-14(20)12-9-13(21-2)18-15(17-12)22-3/h9,11H,4-8,10H2,1-3H3,(H,16,20)
InChIKeyCXGDGQBEMAZWOD-UHFFFAOYSA-N
XLogP0.96
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide (CID 56701847) is 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCCC2CCCN(C)C2)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is CXGDGQBEMAZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-19-8-4-5-11(10-19)6-7-16-14(20)12-9-13(21-2)18-15(17-12)22-3/h9,11H,4-8,10H2,1-3H3,(H,16,20).
What are the key properties of 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide?
2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56701847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).