4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide

C26H26F2N6O2 — CID 146450396

IUPAC4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1cc(F)cc2[nH]c(-c3c(C(N)=O)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12
InChIInChI=1S/C26H26F2N6O2/c1-13-7-14(9-15(27)8-13)18-12-31-23(25(30)35)21(24(18)34-5-3-17(29)4-6-34)26-32-19-10-16(28)11-20(36-2)22(19)33-26/h7-12,17H,3-6,29H2,1-2H3,(H2,30,35)(H,32,33)
InChIKeyNQPBTXCQNMNVLD-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.91
Rot. Bonds5

About 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide

4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 146450396) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide
PubChem CID146450396
Molecular FormulaC26H26F2N6O2
Molecular Weight492.53 g/mol
Exact Mass492.21
IUPAC Name4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1cc(F)cc2[nH]c(-c3c(C(N)=O)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12
InChIInChI=1S/C26H26F2N6O2/c1-13-7-14(9-15(27)8-13)18-12-31-23(25(30)35)21(24(18)34-5-3-17(29)4-6-34)26-32-19-10-16(28)11-20(36-2)22(19)33-26/h7-12,17H,3-6,29H2,1-2H3,(H2,30,35)(H,32,33)
InChIKeyNQPBTXCQNMNVLD-UHFFFAOYSA-N
XLogP3.91
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide (CID 146450396) is 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide is COc1cc(F)cc2[nH]c(-c3c(C(N)=O)ncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)nc12.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NQPBTXCQNMNVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-13-7-14(9-15(27)8-13)18-12-31-23(25(30)35)21(24(18)34-5-3-17(29)4-6-34)26-32-19-10-16(28)11-20(36-2)22(19)33-26/h7-12,17H,3-6,29H2,1-2H3,(H2,30,35)(H,32,33).
What are the key properties of 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide?
4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 146450396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).