6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide

C16H17N5O — CID 167207352

IUPAC6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2nc(N3CCC3)nc3c2CCC3)nc1
InChIInChI=1S/C16H17N5O/c17-15(22)10-5-6-13(18-9-10)14-11-3-1-4-12(11)19-16(20-14)21-7-2-8-21/h5-6,9H,1-4,7-8H2,(H2,17,22)
InChIKeyCOESRVSXNNIKIU-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.34
Rot. Bonds3

About 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide

6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide (PubChem CID 167207352) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide
PubChem CID167207352
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2nc(N3CCC3)nc3c2CCC3)nc1
InChIInChI=1S/C16H17N5O/c17-15(22)10-5-6-13(18-9-10)14-11-3-1-4-12(11)19-16(20-14)21-7-2-8-21/h5-6,9H,1-4,7-8H2,(H2,17,22)
InChIKeyCOESRVSXNNIKIU-UHFFFAOYSA-N
XLogP1.34
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide (CID 167207352) is 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide is NC(=O)c1ccc(-c2nc(N3CCC3)nc3c2CCC3)nc1.
What is the InChIKey of 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide?
The InChIKey is COESRVSXNNIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-15(22)10-5-6-13(18-9-10)14-11-3-1-4-12(11)19-16(20-14)21-7-2-8-21/h5-6,9H,1-4,7-8H2,(H2,17,22).
What are the key properties of 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide?
6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167207352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).