5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

C22H24N6O4 — CID 164751460

IUPAC5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3nc[nH]c3c2)cc1C(N)=O
InChIInChI=1S/C22H24N6O4/c1-12-3-6-18(13-4-5-16-17(7-13)26-11-25-16)28(10-12)22(31)20(30)27-14-8-15(19(23)29)21(32-2)24-9-14/h4-5,7-9,11-12,18H,3,6,10H2,1-2H3,(H2,23,29)(H,25,26)(H,27,30)
InChIKeyVDLHCSBIKXRDEF-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.00
Rot. Bonds4

About 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (PubChem CID 164751460) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
PubChem CID164751460
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3nc[nH]c3c2)cc1C(N)=O
InChIInChI=1S/C22H24N6O4/c1-12-3-6-18(13-4-5-16-17(7-13)26-11-25-16)28(10-12)22(31)20(30)27-14-8-15(19(23)29)21(32-2)24-9-14/h4-5,7-9,11-12,18H,3,6,10H2,1-2H3,(H2,23,29)(H,25,26)(H,27,30)
InChIKeyVDLHCSBIKXRDEF-UHFFFAOYSA-N
XLogP2.00
TPSA143.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (CID 164751460) is 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2ccc3nc[nH]c3c2)cc1C(N)=O.
What is the InChIKey of 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is VDLHCSBIKXRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-12-3-6-18(13-4-5-16-17(7-13)26-11-25-16)28(10-12)22(31)20(30)27-14-8-15(19(23)29)21(32-2)24-9-14/h4-5,7-9,11-12,18H,3,6,10H2,1-2H3,(H2,23,29)(H,25,26)(H,27,30).
What are the key properties of 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 164751460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).