N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane

C12H17ClN4O — CID 144709375

IUPACN-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane
SMILESCC.CC(=O)NCc1c(Cl)nc(C)c2[nH]cnc12
InChIInChI=1S/C10H11ClN4O.C2H6/c1-5-8-9(14-4-13-8)7(10(11)15-5)3-12-6(2)16;1-2/h4H,3H2,1-2H3,(H,12,16)(H,13,14);1-2H3
InChIKeyJAUCPRMPARXLHT-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.58
Rot. Bonds2

About N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane

N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane (PubChem CID 144709375) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane
PubChem CID144709375
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane
SMILESCC.CC(=O)NCc1c(Cl)nc(C)c2[nH]cnc12
InChIInChI=1S/C10H11ClN4O.C2H6/c1-5-8-9(14-4-13-8)7(10(11)15-5)3-12-6(2)16;1-2/h4H,3H2,1-2H3,(H,12,16)(H,13,14);1-2H3
InChIKeyJAUCPRMPARXLHT-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.58
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-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane?
The IUPAC name of N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane (CID 144709375) is N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane.
What is the SMILES notation for N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane?
The canonical SMILES for N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane is CC.CC(=O)NCc1c(Cl)nc(C)c2[nH]cnc12.
What is the InChIKey of N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane?
The InChIKey is JAUCPRMPARXLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O.C2H6/c1-5-8-9(14-4-13-8)7(10(11)15-5)3-12-6(2)16;1-2/h4H,3H2,1-2H3,(H,12,16)(H,13,14);1-2H3.
What are the key properties of N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane?
N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane has a molecular weight of 268.75 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]acetamide;ethane is sourced from PubChem (CID 144709375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).