N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide

C11H16ClN3O — CID 103811557

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN3O/c1-7-4-9(6-14-10(7)12)15-11(16)8(2)5-13-3/h4,6,8,13H,5H2,1-3H3,(H,15,16)
InChIKeyGIUFQHRESCQEKQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.84
Rot. Bonds4

About N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 103811557) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
PubChem CID103811557
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN3O/c1-7-4-9(6-14-10(7)12)15-11(16)8(2)5-13-3/h4,6,8,13H,5H2,1-3H3,(H,15,16)
InChIKeyGIUFQHRESCQEKQ-UHFFFAOYSA-N
XLogP1.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide (CID 103811557) is N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is GIUFQHRESCQEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-9(6-14-10(7)12)15-11(16)8(2)5-13-3/h4,6,8,13H,5H2,1-3H3,(H,15,16).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 241.72 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 103811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).