4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C21H16N4O3 — CID 90670945

IUPAC4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncccc1OCc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H16N4O3/c26-20(16-13-23-18-10-4-5-12-25(18)21(16)27)24-19-17(9-6-11-22-19)28-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,24,26)
InChIKeyYRDAMPBHKCRCEU-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.92
Rot. Bonds5

About 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 90670945) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID90670945
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ncccc1OCc1ccccc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H16N4O3/c26-20(16-13-23-18-10-4-5-12-25(18)21(16)27)24-19-17(9-6-11-22-19)28-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,24,26)
InChIKeyYRDAMPBHKCRCEU-UHFFFAOYSA-N
XLogP2.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 90670945) is 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ncccc1OCc1ccccc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YRDAMPBHKCRCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(16-13-23-18-10-4-5-12-25(18)21(16)27)24-19-17(9-6-11-22-19)28-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,22,24,26).
What are the key properties of 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-phenylmethoxy-2-pyridinyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90670945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).