N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide

C16H13Cl3N6O2 — CID 142507859

IUPACN-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide
SMILESNc1nc(Cl)ccc1NC(=O)Cn1cc(C(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C16H13Cl3N6O2/c17-8-1-2-9(10(18)5-8)15(27)12-6-25(24-23-12)7-14(26)21-11-3-4-13(19)22-16(11)20/h1-6,15,27H,7H2,(H2,20,22)(H,21,26)
InChIKeyPCEVAYWZQXHWAP-UHFFFAOYSA-N
MW427.68 g/mol
LogP2.94
Rot. Bonds5

About N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide

N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide (PubChem CID 142507859) has the molecular formula C16H13Cl3N6O2 and a molecular weight of 427.68 g/mol. Its IUPAC name is N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide
PubChem CID142507859
Molecular FormulaC16H13Cl3N6O2
Molecular Weight427.68 g/mol
Exact Mass426.02
IUPAC NameN-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide
SMILESNc1nc(Cl)ccc1NC(=O)Cn1cc(C(O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C16H13Cl3N6O2/c17-8-1-2-9(10(18)5-8)15(27)12-6-25(24-23-12)7-14(26)21-11-3-4-13(19)22-16(11)20/h1-6,15,27H,7H2,(H2,20,22)(H,21,26)
InChIKeyPCEVAYWZQXHWAP-UHFFFAOYSA-N
XLogP2.94
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]triazol-4-yl]-(2,4-dichlorophenyl)methanol
CID 142507762
N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 81444684
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794
(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
CID 163544169
N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523267
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
(2,4-dichlorophenyl)-(1-phenyltriazol-4-yl)methanol
CID 53244245
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 106228283
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide (CID 142507859) is N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide is Nc1nc(Cl)ccc1NC(=O)Cn1cc(C(O)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide?
The InChIKey is PCEVAYWZQXHWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N6O2/c17-8-1-2-9(10(18)5-8)15(27)12-6-25(24-23-12)7-14(26)21-11-3-4-13(19)22-16(11)20/h1-6,15,27H,7H2,(H2,20,22)(H,21,26).
What are the key properties of N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide?
N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide has a molecular weight of 427.68 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chloro-3-pyridinyl)-2-[4-[(2,4-dichlorophenyl)-hydroxymethyl]triazol-1-yl]acetamide is sourced from PubChem (CID 142507859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).