5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide

C15H14Cl3N3O2 — CID 59151632

IUPAC5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1CC(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N3O2/c1-8(23-10-2-3-12(17)13(18)5-10)6-21-7-9(16)4-11(14(21)19)15(20)22/h2-5,7-8,19H,6H2,1H3,(H2,20,22)/b19-14-
InChIKeyWUKUZJRIDLENNR-RGEXLXHISA-N
MW374.66 g/mol
LogP3.49
Rot. Bonds5

About 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151632) has the molecular formula C15H14Cl3N3O2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide
PubChem CID59151632
Molecular FormulaC15H14Cl3N3O2
Molecular Weight374.66 g/mol
Exact Mass373.02
IUPAC Name5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1CC(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N3O2/c1-8(23-10-2-3-12(17)13(18)5-10)6-21-7-9(16)4-11(14(21)19)15(20)22/h2-5,7-8,19H,6H2,1H3,(H2,20,22)/b19-14-
InChIKeyWUKUZJRIDLENNR-RGEXLXHISA-N
XLogP3.49
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide (CID 59151632) is 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1CC(C)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide?
The InChIKey is WUKUZJRIDLENNR-RGEXLXHISA-N. The full InChI is InChI=1S/C15H14Cl3N3O2/c1-8(23-10-2-3-12(17)13(18)5-10)6-21-7-9(16)4-11(14(21)19)15(20)22/h2-5,7-8,19H,6H2,1H3,(H2,20,22)/b19-14-.
What are the key properties of 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide has a molecular weight of 374.66 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).