N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide

C19H14Cl3N3O2 — CID 91566989

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cccnc1COc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl3N3O2/c1-11-6-8-24-18(22)17(11)25-19(26)13-3-2-7-23-15(13)10-27-16-9-12(20)4-5-14(16)21/h2-9H,10H2,1H3,(H,25,26)
InChIKeyVOGNEKZFQKXCOM-UHFFFAOYSA-N
MW422.70 g/mol
LogP5.58
Rot. Bonds5

About N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide

N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide (PubChem CID 91566989) has the molecular formula C19H14Cl3N3O2 and a molecular weight of 422.70 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide
PubChem CID91566989
Molecular FormulaC19H14Cl3N3O2
Molecular Weight422.70 g/mol
Exact Mass421.02
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cccnc1COc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl3N3O2/c1-11-6-8-24-18(22)17(11)25-19(26)13-3-2-7-23-15(13)10-27-16-9-12(20)4-5-14(16)21/h2-9H,10H2,1H3,(H,25,26)
InChIKeyVOGNEKZFQKXCOM-UHFFFAOYSA-N
XLogP5.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
[2-[(2,5-dichlorophenoxy)methyl]-6-(pyridin-2-ylcarbamoyl)phenyl] 2,2,2-trifluoroacetate
CID 140545560
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
2-(2,5-dichlorophenoxy)-N-[(2,4-dimethylphenyl)methyl]pyridine-3-carboxamide
CID 90878947
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide (CID 91566989) is N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide is Cc1ccnc(Cl)c1NC(=O)c1cccnc1COc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide?
The InChIKey is VOGNEKZFQKXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3N3O2/c1-11-6-8-24-18(22)17(11)25-19(26)13-3-2-7-23-15(13)10-27-16-9-12(20)4-5-14(16)21/h2-9H,10H2,1H3,(H,25,26).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide?
N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide has a molecular weight of 422.70 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-2-[(2,5-dichlorophenoxy)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91566989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).