1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide

C17H28N6O — CID 126814176

IUPAC1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCN1CCCCC1CNc1cc(N2CCCC2C(N)=O)ncn1
InChIInChI=1S/C17H28N6O/c1-2-22-8-4-3-6-13(22)11-19-15-10-16(21-12-20-15)23-9-5-7-14(23)17(18)24/h10,12-14H,2-9,11H2,1H3,(H2,18,24)(H,19,20,21)
InChIKeyLBUHDZWWMFOQPU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.22
Rot. Bonds6

About 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 126814176) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID126814176
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCN1CCCCC1CNc1cc(N2CCCC2C(N)=O)ncn1
InChIInChI=1S/C17H28N6O/c1-2-22-8-4-3-6-13(22)11-19-15-10-16(21-12-20-15)23-9-5-7-14(23)17(18)24/h10,12-14H,2-9,11H2,1H3,(H2,18,24)(H,19,20,21)
InChIKeyLBUHDZWWMFOQPU-UHFFFAOYSA-N
XLogP1.22
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 126814176) is 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCN1CCCCC1CNc1cc(N2CCCC2C(N)=O)ncn1.
What is the InChIKey of 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is LBUHDZWWMFOQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-2-22-8-4-3-6-13(22)11-19-15-10-16(21-12-20-15)23-9-5-7-14(23)17(18)24/h10,12-14H,2-9,11H2,1H3,(H2,18,24)(H,19,20,21).
What are the key properties of 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-ethylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126814176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).