N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O3 — CID 111426103

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O3/c20-13(11-5-1-2-6-11)10-18-15(21)12-9-17-14-7-3-4-8-19(14)16(12)22/h3-4,7-9,11,13,20H,1-2,5-6,10H2,(H,18,21)
InChIKeyCIMGOZVCGVMNKY-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.98
Rot. Bonds4

About N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111426103) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111426103
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H19N3O3/c20-13(11-5-1-2-6-11)10-18-15(21)12-9-17-14-7-3-4-8-19(14)16(12)22/h3-4,7-9,11,13,20H,1-2,5-6,10H2,(H,18,21)
InChIKeyCIMGOZVCGVMNKY-UHFFFAOYSA-N
XLogP0.98
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111426103) is N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC(O)C1CCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CIMGOZVCGVMNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-13(11-5-1-2-6-11)10-18-15(21)12-9-17-14-7-3-4-8-19(14)16(12)22/h3-4,7-9,11,13,20H,1-2,5-6,10H2,(H,18,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111426103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).