N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H15N3O3 — CID 66004533

IUPACN-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-10-5-9(6-10)7-16-13(19)11-8-15-12-3-1-2-4-17(12)14(11)20/h1-4,8-10,18H,5-7H2,(H,16,19)
InChIKeyNVLHVAOKIUFQPO-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.20
Rot. Bonds3

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

N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 66004533) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID66004533
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CC(O)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-10-5-9(6-10)7-16-13(19)11-8-15-12-3-1-2-4-17(12)14(11)20/h1-4,8-10,18H,5-7H2,(H,16,19)
InChIKeyNVLHVAOKIUFQPO-UHFFFAOYSA-N
XLogP0.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 66004533) is N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1CC(O)C1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NVLHVAOKIUFQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-10-5-9(6-10)7-16-13(19)11-8-15-12-3-1-2-4-17(12)14(11)20/h1-4,8-10,18H,5-7H2,(H,16,19).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66004533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).