N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H19N3O4 — CID 94677835

IUPACN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc(OC[C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-13-5-4-6-15(9-13)26-12-14(23)10-21-18(24)16-11-20-17-7-2-3-8-22(17)19(16)25/h2-9,11,14,23H,10,12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyUCEJXEGHQVCTHL-AWEZNQCLSA-N
MW353.38 g/mol
LogP1.17
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94677835) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94677835
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc(OC[C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-13-5-4-6-15(9-13)26-12-14(23)10-21-18(24)16-11-20-17-7-2-3-8-22(17)19(16)25/h2-9,11,14,23H,10,12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyUCEJXEGHQVCTHL-AWEZNQCLSA-N
XLogP1.17
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
(2R)-1-(3-methylphenoxy)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]propan-2-ol
CID 94182902
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-2-methyl-3-nitrobenzamide
CID 94677634
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 107832706

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 94677835) is N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc(OC[C@@H](O)CNC(=O)c2cnc3ccccn3c2=O)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UCEJXEGHQVCTHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-5-4-6-15(9-13)26-12-14(23)10-21-18(24)16-11-20-17-7-2-3-8-22(17)19(16)25/h2-9,11,14,23H,10,12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94677835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).