N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide

C19H13N3O2 — CID 44782754

IUPACN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cnc2ccccn2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H13N3O2/c23-18(15-9-8-13-5-1-2-6-14(13)11-15)21-16-12-20-17-7-3-4-10-22(17)19(16)24/h1-12H,(H,21,23)
InChIKeyJQXBKIFFCXUKMC-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.10
Rot. Bonds2

About N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide

N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide (PubChem CID 44782754) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide
PubChem CID44782754
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1cnc2ccccn2c1=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H13N3O2/c23-18(15-9-8-13-5-1-2-6-14(13)11-15)21-16-12-20-17-7-3-4-10-22(17)19(16)24/h1-12H,(H,21,23)
InChIKeyJQXBKIFFCXUKMC-UHFFFAOYSA-N
XLogP3.10
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide (CID 44782754) is N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide is O=C(Nc1cnc2ccccn2c1=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide?
The InChIKey is JQXBKIFFCXUKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18(15-9-8-13-5-1-2-6-14(13)11-15)21-16-12-20-17-7-3-4-10-22(17)19(16)24/h1-12H,(H,21,23).
What are the key properties of N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide?
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 44782754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).