4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline

C107H114Cl7N19O10 — CID 159177010

IUPAC4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline
SMILESN#Cc1cnc(Cl)cc1Cl.N#Cc1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1.N#Cc1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC(=O)c1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC1CCOCC1.Nc1ccc(C2CCOCC2)cc1
InChIInChI=1S/3C17H18ClN3O2.2C17H16ClN3O.C11H15NO.C6H2Cl2N2.C5H11NO/c18-16-9-15(14(10-20-16)17(19)22)21-13-3-1-11(2-4-13)12-5-7-23-8-6-12;2*18-15-9-16(20-10-14(15)17(19)22)21-13-3-1-11(2-4-13)12-5-7-23-8-6-12;18-17-9-16(14(10-19)11-20-17)21-15-3-1-12(2-4-15)13-5-7-22-8-6-13;18-16-9-17(20-11-14(16)10-19)21-15-3-1-12(2-4-15)13-5-7-22-8-6-13;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;7-5-1-6(8)10-3-4(5)2-9;6-5-1-3-7-4-2-5/h3*1-4,9-10,12H,5-8H2,(H2,19,22)(H,20,21);2*1-4,9,11,13H,5-8H2,(H,20,21);1-4,10H,5-8,12H2;1,3H;5H,1-4,6H2
InChIKeyKMKGKONQWHDHDA-UHFFFAOYSA-N
MW2074.38 g/mol
LogP23.45
Rot. Bonds19

About 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline

4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline (PubChem CID 159177010) has the molecular formula C107H114Cl7N19O10 and a molecular weight of 2074.38 g/mol. Its IUPAC name is 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline.

Molecular Properties

Compound Name4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline
PubChem CID159177010
Molecular FormulaC107H114Cl7N19O10
Molecular Weight2074.38 g/mol
Exact Mass2069.68
IUPAC Name4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline
SMILESN#Cc1cnc(Cl)cc1Cl.N#Cc1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1.N#Cc1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC(=O)c1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC1CCOCC1.Nc1ccc(C2CCOCC2)cc1
InChIInChI=1S/3C17H18ClN3O2.2C17H16ClN3O.C11H15NO.C6H2Cl2N2.C5H11NO/c18-16-9-15(14(10-20-16)17(19)22)21-13-3-1-11(2-4-13)12-5-7-23-8-6-12;2*18-15-9-16(20-10-14(15)17(19)22)21-13-3-1-11(2-4-13)12-5-7-23-8-6-12;18-17-9-16(14(10-19)11-20-17)21-15-3-1-12(2-4-15)13-5-7-22-8-6-13;18-16-9-17(20-11-14(16)10-19)21-15-3-1-12(2-4-15)13-5-7-22-8-6-13;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;7-5-1-6(8)10-3-4(5)2-9;6-5-1-3-7-4-2-5/h3*1-4,9-10,12H,5-8H2,(H2,19,22)(H,20,21);2*1-4,9,11,13H,5-8H2,(H,20,21);1-4,10H,5-8,12H2;1,3H;5H,1-4,6H2
InChIKeyKMKGKONQWHDHDA-UHFFFAOYSA-N
XLogP23.45
TPSA454.78 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002074.38
LogP ≤ 523.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline?
The IUPAC name of 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline (CID 159177010) is 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline.
What is the SMILES notation for 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline?
The canonical SMILES for 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline is N#Cc1cnc(Cl)cc1Cl.N#Cc1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1.N#Cc1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC(=O)c1cnc(Cl)cc1Nc1ccc(C2CCOCC2)cc1.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1Cl.NC1CCOCC1.Nc1ccc(C2CCOCC2)cc1.
What is the InChIKey of 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline?
The InChIKey is KMKGKONQWHDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H18ClN3O2.2C17H16ClN3O.C11H15NO.C6H2Cl2N2.C5H11NO/c18-16-9-15(14(10-20-16)17(19)22)21-13-3-1-11(2-4-13)12-5-7-23-8-6-12;2*18-15-9-16(20-10-14(15)17(19)22)21-13-3-1-11(2-4-13)12-5-7-23-8-6-12;18-17-9-16(14(10-19)11-20-17)21-15-3-1-12(2-4-15)13-5-7-22-8-6-13;18-16-9-17(20-11-14(16)10-19)21-15-3-1-12(2-4-15)13-5-7-22-8-6-13;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;7-5-1-6(8)10-3-4(5)2-9;6-5-1-3-7-4-2-5/h3*1-4,9-10,12H,5-8H2,(H2,19,22)(H,20,21);2*1-4,9,11,13H,5-8H2,(H,20,21);1-4,10H,5-8,12H2;1,3H;5H,1-4,6H2.
What are the key properties of 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline?
4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline has a molecular weight of 2074.38 g/mol, XLogP of 23.45, 19 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline is sourced from PubChem (CID 159177010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).