N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide

C26H22N6O2 — CID 25137960

IUPACN-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4ccncc4)c2)n3C)ccn1
InChIInChI=1S/C26H22N6O2/c1-27-25(33)23-16-21(10-13-29-23)34-20-6-7-24-22(15-20)31-26(32(24)2)30-19-5-3-4-18(14-19)17-8-11-28-12-9-17/h3-16H,1-2H3,(H,27,33)(H,30,31)
InChIKeyNELAFYWTTAJIPE-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.93
Rot. Bonds6

About N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 25137960) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID25137960
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC NameN-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4ccncc4)c2)n3C)ccn1
InChIInChI=1S/C26H22N6O2/c1-27-25(33)23-16-21(10-13-29-23)34-20-6-7-24-22(15-20)31-26(32(24)2)30-19-5-3-4-18(14-19)17-8-11-28-12-9-17/h3-16H,1-2H3,(H,27,33)(H,30,31)
InChIKeyNELAFYWTTAJIPE-UHFFFAOYSA-N
XLogP4.93
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 25137960) is N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4ccncc4)c2)n3C)ccn1.
What is the InChIKey of N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is NELAFYWTTAJIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-27-25(33)23-16-21(10-13-29-23)34-20-6-7-24-22(15-20)31-26(32(24)2)30-19-5-3-4-18(14-19)17-8-11-28-12-9-17/h3-16H,1-2H3,(H,27,33)(H,30,31).
What are the key properties of N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 25137960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).