N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide

C21H16N6O — CID 49046801

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H16N6O/c28-21(20-15-5-1-2-6-16(15)25-26-20)23-12-14-9-10-19(22-11-14)27-13-24-17-7-3-4-8-18(17)27/h1-11,13H,12H2,(H,23,28)(H,25,26)
InChIKeyGGXSIZISBDRSSR-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.23
Rot. Bonds4

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 49046801) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
PubChem CID49046801
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H16N6O/c28-21(20-15-5-1-2-6-16(15)25-26-20)23-12-14-9-10-19(22-11-14)27-13-24-17-7-3-4-8-18(17)27/h1-11,13H,12H2,(H,23,28)(H,25,26)
InChIKeyGGXSIZISBDRSSR-UHFFFAOYSA-N
XLogP3.23
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-[benzyl(methyl)amino]acetamide
CID 49045784
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 49046518
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-4-ethoxybutanamide
CID 49046049
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
CID 49046064
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 49046358
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 49046652
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 49046325
1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
CID 167979437
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 49046224

Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide (CID 49046801) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide is O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is GGXSIZISBDRSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c28-21(20-15-5-1-2-6-16(15)25-26-20)23-12-14-9-10-19(22-11-14)27-13-24-17-7-3-4-8-18(17)27/h1-11,13H,12H2,(H,23,28)(H,25,26).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 49046801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).