2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide

C14H13Cl2N3O — CID 114922684

IUPAC2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)cc2)c(Cl)cn1
InChIInChI=1S/C14H13Cl2N3O/c15-10-3-1-9(2-4-10)5-6-18-14(20)11-7-13(17)19-8-12(11)16/h1-4,7-8H,5-6H2,(H2,17,19)(H,18,20)
InChIKeyHTFYBXXWQZMSEJ-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide

2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114922684) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID114922684
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)cc2)c(Cl)cn1
InChIInChI=1S/C14H13Cl2N3O/c15-10-3-1-9(2-4-10)5-6-18-14(20)11-7-13(17)19-8-12(11)16/h1-4,7-8H,5-6H2,(H2,17,19)(H,18,20)
InChIKeyHTFYBXXWQZMSEJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
CID 114922194
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide (CID 114922684) is 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCc2ccc(Cl)cc2)c(Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is HTFYBXXWQZMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-10-3-1-9(2-4-10)5-6-18-14(20)11-7-13(17)19-8-12(11)16/h1-4,7-8H,5-6H2,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).