2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide

C17H22N4O2 — CID 47056018

IUPAC2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCc1cccn2c(=O)cc(CN(CC(N)=O)C3CCCC3)nc12
InChIInChI=1S/C17H22N4O2/c1-12-5-4-8-21-16(23)9-13(19-17(12)21)10-20(11-15(18)22)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3,(H2,18,22)
InChIKeyMOADHEBTBYXPLO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.23
Rot. Bonds5

About 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide

2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide (PubChem CID 47056018) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
PubChem CID47056018
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
SMILESCc1cccn2c(=O)cc(CN(CC(N)=O)C3CCCC3)nc12
InChIInChI=1S/C17H22N4O2/c1-12-5-4-8-21-16(23)9-13(19-17(12)21)10-20(11-15(18)22)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3,(H2,18,22)
InChIKeyMOADHEBTBYXPLO-UHFFFAOYSA-N
XLogP1.23
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119933028
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
9-methyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 56818277
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate
CID 55356214
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8847272
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 110881785

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide (CID 47056018) is 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide is Cc1cccn2c(=O)cc(CN(CC(N)=O)C3CCCC3)nc12.
What is the InChIKey of 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
The InChIKey is MOADHEBTBYXPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-5-4-8-21-16(23)9-13(19-17(12)21)10-20(11-15(18)22)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3,(H2,18,22).
What are the key properties of 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide?
2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 47056018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).