N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide

C17H17ClN6O2 — CID 25093843

IUPACN-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)cnc2cnc(NCc3ccc(Cl)cc3)nc21
InChIInChI=1S/C17H17ClN6O2/c1-11(25)19-6-7-24-15(26)10-20-14-9-22-17(23-16(14)24)21-8-12-2-4-13(18)5-3-12/h2-5,9-10H,6-8H2,1H3,(H,19,25)(H,21,22,23)
InChIKeyNRJVTGLVGQUILC-UHFFFAOYSA-N
MW372.82 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide

N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide (PubChem CID 25093843) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide
PubChem CID25093843
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC NameN-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)cnc2cnc(NCc3ccc(Cl)cc3)nc21
InChIInChI=1S/C17H17ClN6O2/c1-11(25)19-6-7-24-15(26)10-20-14-9-22-17(23-16(14)24)21-8-12-2-4-13(18)5-3-12/h2-5,9-10H,6-8H2,1H3,(H,19,25)(H,21,22,23)
InChIKeyNRJVTGLVGQUILC-UHFFFAOYSA-N
XLogP1.59
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]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

N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(3-fluoro-4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]acetamide
CID 25094164
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830388
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]-3-methylbenzamide
CID 25094201
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]-3-fluorobenzamide
CID 25094271
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
2-[(4-chlorophenyl)methylamino]-8-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyrido[2,3-d]pyrimidin-7-one
CID 153366451
2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
CID 175383389
2-(benzylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 5330204
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
CID 151552270
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide (CID 25093843) is N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)cnc2cnc(NCc3ccc(Cl)cc3)nc21.
What is the InChIKey of N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide?
The InChIKey is NRJVTGLVGQUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-11(25)19-6-7-24-15(26)10-20-14-9-22-17(23-16(14)24)21-8-12-2-4-13(18)5-3-12/h2-5,9-10H,6-8H2,1H3,(H,19,25)(H,21,22,23).
What are the key properties of N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide?
N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide has a molecular weight of 372.82 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-chlorophenyl)methylamino]-7-oxopteridin-8-yl]ethyl]acetamide is sourced from PubChem (CID 25093843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).