N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide

C16H15Cl2N3O3 — CID 127265123

IUPACN-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)CCCNC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H15Cl2N3O3/c17-11-7-6-10(9-12(11)18)24-15-5-1-3-13(21-15)16(23)20-8-2-4-14(19)22/h1,3,5-7,9H,2,4,8H2,(H2,19,22)(H,20,23)
InChIKeyVAPGRKQFGARGLQ-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.18
Rot. Bonds7

About N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide

N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide (PubChem CID 127265123) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide
PubChem CID127265123
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)CCCNC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H15Cl2N3O3/c17-11-7-6-10(9-12(11)18)24-15-5-1-3-13(21-15)16(23)20-8-2-4-14(19)22/h1,3,5-7,9H,2,4,8H2,(H2,19,22)(H,20,23)
InChIKeyVAPGRKQFGARGLQ-UHFFFAOYSA-N
XLogP3.18
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide (CID 127265123) is N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide is NC(=O)CCCNC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide?
The InChIKey is VAPGRKQFGARGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-11-7-6-10(9-12(11)18)24-15-5-1-3-13(21-15)16(23)20-8-2-4-14(19)22/h1,3,5-7,9H,2,4,8H2,(H2,19,22)(H,20,23).
What are the key properties of N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide?
N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-6-(3,4-dichlorophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 127265123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).