2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide

C19H13Cl4N5O2 — CID 39042283

IUPAC2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
SMILESNc1c(Cl)cc(NC(=O)c2cccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)n2)cc1Cl
InChIInChI=1S/C19H13Cl4N5O2/c20-10-4-8(5-11(21)16(10)24)26-18(29)14-2-1-3-15(28-14)19(30)27-9-6-12(22)17(25)13(23)7-9/h1-7H,24-25H2,(H,26,29)(H,27,30)
InChIKeyVIPVCRKRDHQGKE-UHFFFAOYSA-N
MW485.16 g/mol
LogP5.36
Rot. Bonds4

About 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 39042283) has the molecular formula C19H13Cl4N5O2 and a molecular weight of 485.16 g/mol. Its IUPAC name is 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
PubChem CID39042283
Molecular FormulaC19H13Cl4N5O2
Molecular Weight485.16 g/mol
Exact Mass482.98
IUPAC Name2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
SMILESNc1c(Cl)cc(NC(=O)c2cccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)n2)cc1Cl
InChIInChI=1S/C19H13Cl4N5O2/c20-10-4-8(5-11(21)16(10)24)26-18(29)14-2-1-3-15(28-14)19(30)27-9-6-12(22)17(25)13(23)7-9/h1-7H,24-25H2,(H,26,29)(H,27,30)
InChIKeyVIPVCRKRDHQGKE-UHFFFAOYSA-N
XLogP5.36
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.16
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide
CID 100978561
2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
CID 136863629
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(4-amino-3,5-dichlorophenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55464176
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238561

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide (CID 39042283) is 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide is Nc1c(Cl)cc(NC(=O)c2cccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)n2)cc1Cl.
What is the InChIKey of 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is VIPVCRKRDHQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl4N5O2/c20-10-4-8(5-11(21)16(10)24)26-18(29)14-2-1-3-15(28-14)19(30)27-9-6-12(22)17(25)13(23)7-9/h1-7H,24-25H2,(H,26,29)(H,27,30).
What are the key properties of 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 485.16 g/mol, XLogP of 5.36, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 39042283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).