N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide

C23H23N5O2 — CID 117085298

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(Nc3nc4ccccc4n3C)c2)cc1
InChIInChI=1S/C23H23N5O2/c1-28-20-6-4-3-5-19(20)26-23(28)27-21-15-17(12-14-24-21)22(29)25-13-11-16-7-9-18(30-2)10-8-16/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyDHYQTEGTGAAEGL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide (PubChem CID 117085298) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide
PubChem CID117085298
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(Nc3nc4ccccc4n3C)c2)cc1
InChIInChI=1S/C23H23N5O2/c1-28-20-6-4-3-5-19(20)26-23(28)27-21-15-17(12-14-24-21)22(29)25-13-11-16-7-9-18(30-2)10-8-16/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyDHYQTEGTGAAEGL-UHFFFAOYSA-N
XLogP3.69
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide (CID 117085298) is N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2ccnc(Nc3nc4ccccc4n3C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide?
The InChIKey is DHYQTEGTGAAEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-28-20-6-4-3-5-19(20)26-23(28)27-21-15-17(12-14-24-21)22(29)25-13-11-16-7-9-18(30-2)10-8-16/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 117085298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).