N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C20H25N3O2 — CID 109190182

IUPACN-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N2CCCC(C)C2)cn1
InChIInChI=1S/C20H25N3O2/c1-15-6-5-11-23(14-15)17-9-10-18(21-13-17)20(24)22-12-16-7-3-4-8-19(16)25-2/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyCAMWYVKEQJBVLS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.26
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109190182) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109190182
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(N2CCCC(C)C2)cn1
InChIInChI=1S/C20H25N3O2/c1-15-6-5-11-23(14-15)17-9-10-18(21-13-17)20(24)22-12-16-7-3-4-8-19(16)25-2/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyCAMWYVKEQJBVLS-UHFFFAOYSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109190182) is N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(N2CCCC(C)C2)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is CAMWYVKEQJBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-6-5-11-23(14-15)17-9-10-18(21-13-17)20(24)22-12-16-7-3-4-8-19(16)25-2/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109190182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).