N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide

C17H21N5O5 — CID 44782977

IUPACN-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide
SMILESO=C(CNc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O)NCCO
InChIInChI=1S/C17H21N5O5/c23-7-3-18-14(24)11-19-13-10-20-15-12(2-1-4-22(15)17(13)26)16(25)21-5-8-27-9-6-21/h1-2,4,10,19,23H,3,5-9,11H2,(H,18,24)
InChIKeyINQNWTUQXYMNNY-UHFFFAOYSA-N
MW375.39 g/mol
LogP-1.31
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide

N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide (PubChem CID 44782977) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide
PubChem CID44782977
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC NameN-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide
SMILESO=C(CNc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O)NCCO
InChIInChI=1S/C17H21N5O5/c23-7-3-18-14(24)11-19-13-10-20-15-12(2-1-4-22(15)17(13)26)16(25)21-5-8-27-9-6-21/h1-2,4,10,19,23H,3,5-9,11H2,(H,18,24)
InChIKeyINQNWTUQXYMNNY-UHFFFAOYSA-N
XLogP-1.31
TPSA125.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide (CID 44782977) is N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide is O=C(CNc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide?
The InChIKey is INQNWTUQXYMNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c23-7-3-18-14(24)11-19-13-10-20-15-12(2-1-4-22(15)17(13)26)16(25)21-5-8-27-9-6-21/h1-2,4,10,19,23H,3,5-9,11H2,(H,18,24).
What are the key properties of N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide?
N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide has a molecular weight of 375.39 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide is sourced from PubChem (CID 44782977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).