N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H24N4O2 — CID 121141445

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)C1
InChIInChI=1S/C21H24N4O2/c1-15-20(25-13-4-3-7-19(25)22-15)21(26)23-16-8-10-17(11-9-16)24-12-5-6-18(14-24)27-2/h3-4,7-11,13,18H,5-6,12,14H2,1-2H3,(H,23,26)
InChIKeyNVWVDLIRRYQMKF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.51
Rot. Bonds4

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121141445) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID121141445
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)C1
InChIInChI=1S/C21H24N4O2/c1-15-20(25-13-4-3-7-19(25)22-15)21(26)23-16-8-10-17(11-9-16)24-12-5-6-18(14-24)27-2/h3-4,7-11,13,18H,5-6,12,14H2,1-2H3,(H,23,26)
InChIKeyNVWVDLIRRYQMKF-UHFFFAOYSA-N
XLogP3.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 121141445) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COC1CCCN(c2ccc(NC(=O)c3c(C)nc4ccccn34)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NVWVDLIRRYQMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-20(25-13-4-3-7-19(25)22-15)21(26)23-16-8-10-17(11-9-16)24-12-5-6-18(14-24)27-2/h3-4,7-11,13,18H,5-6,12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121141445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).