N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide

C17H22N4O2 — CID 44782707

IUPACN-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
SMILESO=C(CNc1cnc2ccccn2c1=O)NCC1CCCCC1
InChIInChI=1S/C17H22N4O2/c22-16(20-10-13-6-2-1-3-7-13)12-18-14-11-19-15-8-4-5-9-21(15)17(14)23/h4-5,8-9,11,13,18H,1-3,6-7,10,12H2,(H,20,22)
InChIKeyDQNZZVDJMWZPLH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.80
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide

N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide (PubChem CID 44782707) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
PubChem CID44782707
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
SMILESO=C(CNc1cnc2ccccn2c1=O)NCC1CCCCC1
InChIInChI=1S/C17H22N4O2/c22-16(20-10-13-6-2-1-3-7-13)12-18-14-11-19-15-8-4-5-9-21(15)17(14)23/h4-5,8-9,11,13,18H,1-3,6-7,10,12H2,(H,20,22)
InChIKeyDQNZZVDJMWZPLH-UHFFFAOYSA-N
XLogP1.80
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide (CID 44782707) is N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide is O=C(CNc1cnc2ccccn2c1=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
The InChIKey is DQNZZVDJMWZPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16(20-10-13-6-2-1-3-7-13)12-18-14-11-19-15-8-4-5-9-21(15)17(14)23/h4-5,8-9,11,13,18H,1-3,6-7,10,12H2,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide is sourced from PubChem (CID 44782707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).