N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide

C22H28N6O2 — CID 22040571

IUPACN-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCCC2CCCN2C)n3C)ccn1
InChIInChI=1S/C22H28N6O2/c1-23-21(29)19-14-17(9-11-24-19)30-16-6-7-20-18(13-16)26-22(28(20)3)25-10-8-15-5-4-12-27(15)2/h6-7,9,11,13-15H,4-5,8,10,12H2,1-3H3,(H,23,29)(H,25,26)
InChIKeyDCDIRPWOGICHME-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.02
Rot. Bonds7

About N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22040571) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22040571
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCCC2CCCN2C)n3C)ccn1
InChIInChI=1S/C22H28N6O2/c1-23-21(29)19-14-17(9-11-24-19)30-16-6-7-20-18(13-16)26-22(28(20)3)25-10-8-15-5-4-12-27(15)2/h6-7,9,11,13-15H,4-5,8,10,12H2,1-3H3,(H,23,29)(H,25,26)
InChIKeyDCDIRPWOGICHME-UHFFFAOYSA-N
XLogP3.02
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.02
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-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22040571) is N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(NCCC2CCCN2C)n3C)ccn1.
What is the InChIKey of N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is DCDIRPWOGICHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-23-21(29)19-14-17(9-11-24-19)30-16-6-7-20-18(13-16)26-22(28(20)3)25-10-8-15-5-4-12-27(15)2/h6-7,9,11,13-15H,4-5,8,10,12H2,1-3H3,(H,23,29)(H,25,26).
What are the key properties of N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 3.02, 7 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-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22040571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).