2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide

C17H21N3O2 — CID 46982192

IUPAC2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)C(C)Cc2cc(C)ccn2)ccn1
InChIInChI=1S/C17H21N3O2/c1-12-5-7-18-15(9-12)10-13(2)20(3)17(21)14-6-8-19-16(11-14)22-4/h5-9,11,13H,10H2,1-4H3
InChIKeyYBHWBOWMEALJEN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds5

About 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide

2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide (PubChem CID 46982192) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide
PubChem CID46982192
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(C)C(C)Cc2cc(C)ccn2)ccn1
InChIInChI=1S/C17H21N3O2/c1-12-5-7-18-15(9-12)10-13(2)20(3)17(21)14-6-8-19-16(11-14)22-4/h5-9,11,13H,10H2,1-4H3
InChIKeyYBHWBOWMEALJEN-UHFFFAOYSA-N
XLogP2.50
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide (CID 46982192) is 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide is COc1cc(C(=O)N(C)C(C)Cc2cc(C)ccn2)ccn1.
What is the InChIKey of 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is YBHWBOWMEALJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-5-7-18-15(9-12)10-13(2)20(3)17(21)14-6-8-19-16(11-14)22-4/h5-9,11,13H,10H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide?
2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 46982192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).