N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide

C22H19Cl2N7O2 — CID 25093806

IUPACN-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C22H19Cl2N7O2/c1-13(32)26-7-8-31-20-18(29-19(21(31)33)15-3-2-6-25-11-15)12-28-22(30-20)27-10-14-4-5-16(23)17(24)9-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,26,32)(H,27,28,30)
InChIKeyAUSRQKFDMUEKHR-UHFFFAOYSA-N
MW484.35 g/mol
LogP3.30
Rot. Bonds7

About N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide

N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide (PubChem CID 25093806) has the molecular formula C22H19Cl2N7O2 and a molecular weight of 484.35 g/mol. Its IUPAC name is N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
PubChem CID25093806
Molecular FormulaC22H19Cl2N7O2
Molecular Weight484.35 g/mol
Exact Mass483.10
IUPAC NameN-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C22H19Cl2N7O2/c1-13(32)26-7-8-31-20-18(29-19(21(31)33)15-3-2-6-25-11-15)12-28-22(30-20)27-10-14-4-5-16(23)17(24)9-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,26,32)(H,27,28,30)
InChIKeyAUSRQKFDMUEKHR-UHFFFAOYSA-N
XLogP3.30
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide (CID 25093806) is N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2cccnc2)nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc21.
What is the InChIKey of N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
The InChIKey is AUSRQKFDMUEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N7O2/c1-13(32)26-7-8-31-20-18(29-19(21(31)33)15-3-2-6-25-11-15)12-28-22(30-20)27-10-14-4-5-16(23)17(24)9-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,26,32)(H,27,28,30).
What are the key properties of N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide?
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide has a molecular weight of 484.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,4-dichlorophenyl)methylamino]-7-oxo-6-pyridin-3-ylpteridin-8-yl]ethyl]acetamide is sourced from PubChem (CID 25093806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).