2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C18H21N5O2 — CID 71894291

IUPAC2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C18H21N5O2/c24-16(14-11-12-3-1-4-15(12)22-17(14)25)21-13-5-9-23(10-6-13)18-19-7-2-8-20-18/h2,7-8,11,13H,1,3-6,9-10H2,(H,21,24)(H,22,25)
InChIKeyDKPIZKMDFANRIN-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.05
Rot. Bonds3

About 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71894291) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71894291
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C18H21N5O2/c24-16(14-11-12-3-1-4-15(12)22-17(14)25)21-13-5-9-23(10-6-13)18-19-7-2-8-20-18/h2,7-8,11,13H,1,3-6,9-10H2,(H,21,24)(H,22,25)
InChIKeyDKPIZKMDFANRIN-UHFFFAOYSA-N
XLogP1.05
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71894291) is 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is DKPIZKMDFANRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(14-11-12-3-1-4-15(12)22-17(14)25)21-13-5-9-23(10-6-13)18-19-7-2-8-20-18/h2,7-8,11,13H,1,3-6,9-10H2,(H,21,24)(H,22,25).
What are the key properties of 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71894291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).