N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H11N3O3 — CID 5310240

IUPACN-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H11N3O3/c18-13(16-8-10-4-3-7-20-10)11-9-15-12-5-1-2-6-17(12)14(11)19/h1-7,9H,8H2,(H,16,18)
InChIKeyKYQRFIOOBKVUMI-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.22
Rot. Bonds3

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

N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 5310240) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID5310240
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H11N3O3/c18-13(16-8-10-4-3-7-20-10)11-9-15-12-5-1-2-6-17(12)14(11)19/h1-7,9H,8H2,(H,16,18)
InChIKeyKYQRFIOOBKVUMI-UHFFFAOYSA-N
XLogP1.22
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 5310240) is N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccco1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KYQRFIOOBKVUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13(16-8-10-4-3-7-20-10)11-9-15-12-5-1-2-6-17(12)14(11)19/h1-7,9H,8H2,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5310240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).