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

C14H15N3O3 — CID 43576598

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnc2ccccn2c1=O)N(CCO)C1CC1
InChIInChI=1S/C14H15N3O3/c18-8-7-16(10-4-5-10)13(19)11-9-15-12-3-1-2-6-17(12)14(11)20/h1-3,6,9-10,18H,4-5,7-8H2
InChIKeyRUYVCANRXUNONO-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.29
Rot. Bonds4

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

N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 43576598) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID43576598
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnc2ccccn2c1=O)N(CCO)C1CC1
InChIInChI=1S/C14H15N3O3/c18-8-7-16(10-4-5-10)13(19)11-9-15-12-3-1-2-6-17(12)14(11)20/h1-3,6,9-10,18H,4-5,7-8H2
InChIKeyRUYVCANRXUNONO-UHFFFAOYSA-N
XLogP0.29
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 43576598) is N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(c1cnc2ccccn2c1=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RUYVCANRXUNONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-8-7-16(10-4-5-10)13(19)11-9-15-12-3-1-2-6-17(12)14(11)20/h1-3,6,9-10,18H,4-5,7-8H2.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 43576598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).