2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide

C18H28N4O2 — CID 56747349

IUPAC2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCC2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-2-17-19-11-15(12-20-17)18(23)21-10-14-4-3-7-22(13-14)16-5-8-24-9-6-16/h11-12,14,16H,2-10,13H2,1H3,(H,21,23)
InChIKeyGREVBOWMLRBYNX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.66
Rot. Bonds5

About 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide

2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 56747349) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID56747349
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCC2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-2-17-19-11-15(12-20-17)18(23)21-10-14-4-3-7-22(13-14)16-5-8-24-9-6-16/h11-12,14,16H,2-10,13H2,1H3,(H,21,23)
InChIKeyGREVBOWMLRBYNX-UHFFFAOYSA-N
XLogP1.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 56747349) is 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCC2CCCN(C3CCOCC3)C2)cn1.
What is the InChIKey of 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is GREVBOWMLRBYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-17-19-11-15(12-20-17)18(23)21-10-14-4-3-7-22(13-14)16-5-8-24-9-6-16/h11-12,14,16H,2-10,13H2,1H3,(H,21,23).
What are the key properties of 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide?
2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 56747349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).