2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide

C15H24N4O3 — CID 58945389

IUPAC2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCN2CCCCC2)nc(OC)n1
InChIInChI=1S/C15H24N4O3/c1-21-13-11-12(17-15(18-13)22-2)14(20)16-7-6-10-19-8-4-3-5-9-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyVCPXBSKVGMJKHY-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.10
Rot. Bonds7

About 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide

2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 58945389) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide
PubChem CID58945389
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCN2CCCCC2)nc(OC)n1
InChIInChI=1S/C15H24N4O3/c1-21-13-11-12(17-15(18-13)22-2)14(20)16-7-6-10-19-8-4-3-5-9-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyVCPXBSKVGMJKHY-UHFFFAOYSA-N
XLogP1.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide (CID 58945389) is 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide is COc1cc(C(=O)NCCCN2CCCCC2)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is VCPXBSKVGMJKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-21-13-11-12(17-15(18-13)22-2)14(20)16-7-6-10-19-8-4-3-5-9-19/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide?
2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(3-piperidin-1-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 58945389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).