N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide

C15H17ClN4O3 — CID 24958018

IUPACN-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(OCC2CCCCO2)c2nc(Cl)ccc2n1
InChIInChI=1S/C15H17ClN4O3/c1-9(21)17-15-18-11-5-6-12(16)19-13(11)14(20-15)23-8-10-4-2-3-7-22-10/h5-6,10H,2-4,7-8H2,1H3,(H,17,18,20,21)
InChIKeyIECLQQSDBVCAHE-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.58
Rot. Bonds4

About N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide

N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide (PubChem CID 24958018) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide
PubChem CID24958018
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(OCC2CCCCO2)c2nc(Cl)ccc2n1
InChIInChI=1S/C15H17ClN4O3/c1-9(21)17-15-18-11-5-6-12(16)19-13(11)14(20-15)23-8-10-4-2-3-7-22-10/h5-6,10H,2-4,7-8H2,1H3,(H,17,18,20,21)
InChIKeyIECLQQSDBVCAHE-UHFFFAOYSA-N
XLogP2.58
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
[5-cyclopropyl-6-(oxolan-2-ylmethoxy)-2-pyridinyl] N-tert-butylcarbamate
CID 121347296
3-chloro-4,5-dimethyl-6-(oxan-2-ylmethoxy)pyridazine
CID 63271994
4-chloro-2-(oxan-2-ylmethoxy)-1,3-thiazole
CID 83152491
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
CID 131992608
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150975

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide (CID 24958018) is N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(OCC2CCCCO2)c2nc(Cl)ccc2n1.
What is the InChIKey of N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide?
The InChIKey is IECLQQSDBVCAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-9(21)17-15-18-11-5-6-12(16)19-13(11)14(20-15)23-8-10-4-2-3-7-22-10/h5-6,10H,2-4,7-8H2,1H3,(H,17,18,20,21).
What are the key properties of N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide?
N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide has a molecular weight of 336.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(oxan-2-ylmethoxy)pyrido[3,2-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 24958018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).