N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide

C11H15ClN4O2 — CID 62170062

IUPACN-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCCNC(C)=O)n1
InChIInChI=1S/C11H15ClN4O2/c1-7(17)14-5-6-15-11(18)10-8(12)3-4-9(13-2)16-10/h3-4H,5-6H2,1-2H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyRNJRECPPYGYWFL-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.64
Rot. Bonds5

About N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide

N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62170062) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
PubChem CID62170062
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCCNC(C)=O)n1
InChIInChI=1S/C11H15ClN4O2/c1-7(17)14-5-6-15-11(18)10-8(12)3-4-9(13-2)16-10/h3-4H,5-6H2,1-2H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeyRNJRECPPYGYWFL-UHFFFAOYSA-N
XLogP0.64
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
3-chloro-6-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106422909
3-chloro-6-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011360
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943
3-chloro-N-cyclohexyl-6-(methylamino)pyridine-2-carboxamide
CID 62173028
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62186267
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide (CID 62170062) is N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCCNC(C)=O)n1.
What is the InChIKey of N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is RNJRECPPYGYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7(17)14-5-6-15-11(18)10-8(12)3-4-9(13-2)16-10/h3-4H,5-6H2,1-2H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide?
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62170062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).