N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide

C20H18N6O — CID 170203956

IUPACN-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide
SMILESCCc1ccc(CNC(=O)c2cccc3c(-c4ccnnc4)n[nH]c23)cn1
InChIInChI=1S/C20H18N6O/c1-2-15-7-6-13(10-21-15)11-22-20(27)17-5-3-4-16-18(25-26-19(16)17)14-8-9-23-24-12-14/h3-10,12H,2,11H2,1H3,(H,22,27)(H,25,26)
InChIKeyGPDOBXTZLMPASP-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.91
Rot. Bonds5

About N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide

N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide (PubChem CID 170203956) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide
PubChem CID170203956
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide
SMILESCCc1ccc(CNC(=O)c2cccc3c(-c4ccnnc4)n[nH]c23)cn1
InChIInChI=1S/C20H18N6O/c1-2-15-7-6-13(10-21-15)11-22-20(27)17-5-3-4-16-18(25-26-19(16)17)14-8-9-23-24-12-14/h3-10,12H,2,11H2,1H3,(H,22,27)(H,25,26)
InChIKeyGPDOBXTZLMPASP-UHFFFAOYSA-N
XLogP2.91
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 91393472
N-[(5-chlorothiophen-2-yl)methyl]-3-pyridin-4-yl-1H-indazole-7-carboxamide
CID 156886673
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
CID 69053992
N-[[5-(formamidomethyl)-2-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 167275032
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 60516023
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide?
The IUPAC name of N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide (CID 170203956) is N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide is CCc1ccc(CNC(=O)c2cccc3c(-c4ccnnc4)n[nH]c23)cn1.
What is the InChIKey of N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide?
The InChIKey is GPDOBXTZLMPASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-15-7-6-13(10-21-15)11-22-20(27)17-5-3-4-16-18(25-26-19(16)17)14-8-9-23-24-12-14/h3-10,12H,2,11H2,1H3,(H,22,27)(H,25,26).
What are the key properties of N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide?
N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-3-pyridinyl)methyl]-3-pyridazin-4-yl-1H-indazole-7-carboxamide is sourced from PubChem (CID 170203956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).