N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane

C11H17ClN2O — CID 177049459

IUPACN-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane
SMILESCC.Cc1cc(CNC=O)nc(Cl)c1C
InChIInChI=1S/C9H11ClN2O.C2H6/c1-6-3-8(4-11-5-13)12-9(10)7(6)2;1-2/h3,5H,4H2,1-2H3,(H,11,13);1-2H3
InChIKeyUTUQLYWUGZHLEB-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.62
Rot. Bonds3

About N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane

N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane (PubChem CID 177049459) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane.

Molecular Properties

Compound NameN-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane
PubChem CID177049459
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane
SMILESCC.Cc1cc(CNC=O)nc(Cl)c1C
InChIInChI=1S/C9H11ClN2O.C2H6/c1-6-3-8(4-11-5-13)12-9(10)7(6)2;1-2/h3,5H,4H2,1-2H3,(H,11,13);1-2H3
InChIKeyUTUQLYWUGZHLEB-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane?
The IUPAC name of N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane (CID 177049459) is N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane.
What is the SMILES notation for N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane?
The canonical SMILES for N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane is CC.Cc1cc(CNC=O)nc(Cl)c1C.
What is the InChIKey of N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane?
The InChIKey is UTUQLYWUGZHLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.C2H6/c1-6-3-8(4-11-5-13)12-9(10)7(6)2;1-2/h3,5H,4H2,1-2H3,(H,11,13);1-2H3.
What are the key properties of N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane?
N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane has a molecular weight of 228.72 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4,5-dimethyl-2-pyridinyl)methyl]formamide;ethane is sourced from PubChem (CID 177049459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).