5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile

C21H15Cl2N7 — CID 10238243

IUPAC5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)nc3cccnc23)cn1
InChIInChI=1S/C21H15Cl2N7/c22-13-3-6-16(17(23)10-13)20-29-18-2-1-7-26-19(18)21(30-20)27-9-8-25-15-5-4-14(11-24)28-12-15/h1-7,10,12,25H,8-9H2,(H,27,29,30)
InChIKeyGVSJRDUJXRAYEL-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.79
Rot. Bonds6

About 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile

5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile (PubChem CID 10238243) has the molecular formula C21H15Cl2N7 and a molecular weight of 436.31 g/mol. Its IUPAC name is 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile
PubChem CID10238243
Molecular FormulaC21H15Cl2N7
Molecular Weight436.31 g/mol
Exact Mass435.08
IUPAC Name5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)nc3cccnc23)cn1
InChIInChI=1S/C21H15Cl2N7/c22-13-3-6-16(17(23)10-13)20-29-18-2-1-7-26-19(18)21(30-20)27-9-8-25-15-5-4-14(11-24)28-12-15/h1-7,10,12,25H,8-9H2,(H,27,29,30)
InChIKeyGVSJRDUJXRAYEL-UHFFFAOYSA-N
XLogP4.79
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile (CID 10238243) is 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)nc3cccnc23)cn1.
What is the InChIKey of 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile?
The InChIKey is GVSJRDUJXRAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N7/c22-13-3-6-16(17(23)10-13)20-29-18-2-1-7-26-19(18)21(30-20)27-9-8-25-15-5-4-14(11-24)28-12-15/h1-7,10,12,25H,8-9H2,(H,27,29,30).
What are the key properties of 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile?
5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile has a molecular weight of 436.31 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-(2,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 10238243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).