N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide

C17H14Cl2N4O — CID 162662005

IUPACN-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N4O/c18-12-7-6-11(9-13(12)19)23-15-14(5-2-8-20-15)22-16(23)17(24)21-10-3-1-4-10/h2,5-10H,1,3-4H2,(H,21,24)
InChIKeyCRWPGVFFASCQNT-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.01
Rot. Bonds3

About N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide

N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 162662005) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID162662005
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N4O/c18-12-7-6-11(9-13(12)19)23-15-14(5-2-8-20-15)22-16(23)17(24)21-10-3-1-4-10/h2,5-10H,1,3-4H2,(H,21,24)
InChIKeyCRWPGVFFASCQNT-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide (CID 162662005) is N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide is O=C(NC1CCC1)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is CRWPGVFFASCQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-12-7-6-11(9-13(12)19)23-15-14(5-2-8-20-15)22-16(23)17(24)21-10-3-1-4-10/h2,5-10H,1,3-4H2,(H,21,24).
What are the key properties of N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide?
N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 162662005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).