N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide

C21H20N6O2 — CID 135620678

IUPACN-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C21H20N6O2/c1-3-23-21(28)15-8-13(10-22-11-15)4-5-14-12-24-27-19(14)20-25-17-7-6-16(29-2)9-18(17)26-20/h4-12H,3H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b5-4+
InChIKeyTYNOFSAXDJGXIY-SNAWJCMRSA-N
MW388.43 g/mol
LogP3.28
Rot. Bonds6

About N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide

N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide (PubChem CID 135620678) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide
PubChem CID135620678
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C21H20N6O2/c1-3-23-21(28)15-8-13(10-22-11-15)4-5-14-12-24-27-19(14)20-25-17-7-6-16(29-2)9-18(17)26-20/h4-12H,3H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b5-4+
InChIKeyTYNOFSAXDJGXIY-SNAWJCMRSA-N
XLogP3.28
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide (CID 135620678) is N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide is CCNC(=O)c1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide?
The InChIKey is TYNOFSAXDJGXIY-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-3-23-21(28)15-8-13(10-22-11-15)4-5-14-12-24-27-19(14)20-25-17-7-6-16(29-2)9-18(17)26-20/h4-12H,3H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b5-4+.
What are the key properties of N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide?
N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135620678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).