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

C15H17N3O3 — CID 164640054

IUPACN-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-14(17-9-11-5-2-4-8-21-11)12-10-16-13-6-1-3-7-18(13)15(12)20/h1,3,6-7,10-11H,2,4-5,8-9H2,(H,17,19)/t11-/m1/s1
InChIKeyFKGALBVSJOXRST-LLVKDONJSA-N
MW287.32 g/mol
LogP0.99
Rot. Bonds3

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

N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 164640054) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID164640054
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-14(17-9-11-5-2-4-8-21-11)12-10-16-13-6-1-3-7-18(13)15(12)20/h1,3,6-7,10-11H,2,4-5,8-9H2,(H,17,19)/t11-/m1/s1
InChIKeyFKGALBVSJOXRST-LLVKDONJSA-N
XLogP0.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholinoethyl)-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804820
9-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53009364
2-hydroxy-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136163338
6-methyl-N-(oxan-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126668441
N-(3-cyclohexyloxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804110
4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804765
N-(3-morpholin-4-ylpropyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45804799
3-(2-Ethylmorpholine-4-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 45816228
8-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45824348
3-(3-Ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
4-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 48015353
3-(3-Propoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 53538552

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 164640054) is N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC[C@H]1CCCCO1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FKGALBVSJOXRST-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(17-9-11-5-2-4-8-21-11)12-10-16-13-6-1-3-7-18(13)15(12)20/h1,3,6-7,10-11H,2,4-5,8-9H2,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164640054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).