N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide

C14H17N5O3 — CID 71462106

IUPACN-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C14H17N5O3/c1-9-3-6-19-12(7-9)17-8-11(13(19)21)18-14(22)16-5-4-15-10(2)20/h3,6-8H,4-5H2,1-2H3,(H,15,20)(H2,16,18,22)
InChIKeyNMAQFDGWEZZHSL-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.26
Rot. Bonds4

About N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide

N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide (PubChem CID 71462106) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
PubChem CID71462106
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cnc2cc(C)ccn2c1=O
InChIInChI=1S/C14H17N5O3/c1-9-3-6-19-12(7-9)17-8-11(13(19)21)18-14(22)16-5-4-15-10(2)20/h3,6-8H,4-5H2,1-2H3,(H,15,20)(H2,16,18,22)
InChIKeyNMAQFDGWEZZHSL-UHFFFAOYSA-N
XLogP0.26
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide (CID 71462106) is N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1cnc2cc(C)ccn2c1=O.
What is the InChIKey of N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is NMAQFDGWEZZHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-3-6-19-12(7-9)17-8-11(13(19)21)18-14(22)16-5-4-15-10(2)20/h3,6-8H,4-5H2,1-2H3,(H,15,20)(H2,16,18,22).
What are the key properties of N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 71462106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).