N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C17H20N2O3 — CID 743159

IUPACN-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2)cc1OCC(C)C
InChIInChI=1S/C17H20N2O3/c1-12(2)11-22-16-9-14(6-7-15(16)21-3)19-17(20)13-5-4-8-18-10-13/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyTWWQBOAIDWSADL-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.38
Rot. Bonds6

About N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 743159) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID743159
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2)cc1OCC(C)C
InChIInChI=1S/C17H20N2O3/c1-12(2)11-22-16-9-14(6-7-15(16)21-3)19-17(20)13-5-4-8-18-10-13/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyTWWQBOAIDWSADL-UHFFFAOYSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 743159) is N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2)cc1OCC(C)C.
What is the InChIKey of N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is TWWQBOAIDWSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(2)11-22-16-9-14(6-7-15(16)21-3)19-17(20)13-5-4-8-18-10-13/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 743159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).