N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide

C20H16N4O — CID 68637667

IUPACN-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide
SMILESO=C(NCc1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H16N4O/c25-20(22-13-14-6-7-16-10-11-21-19(16)12-14)18-9-8-17(23-24-18)15-4-2-1-3-5-15/h1-12,21H,13H2,(H,22,25)
InChIKeyMQCQCSAGSRXSKV-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.55
Rot. Bonds4

About N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide

N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide (PubChem CID 68637667) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide
PubChem CID68637667
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide
SMILESO=C(NCc1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C20H16N4O/c25-20(22-13-14-6-7-16-10-11-21-19(16)12-14)18-9-8-17(23-24-18)15-4-2-1-3-5-15/h1-12,21H,13H2,(H,22,25)
InChIKeyMQCQCSAGSRXSKV-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
3-[(1H-indole-6-carbonylamino)methyl]benzoic acid
CID 84761714
1-(1H-indol-6-ylmethyl)-3-[4-[(2-phenylphenyl)sulfanylamino]phenyl]urea
CID 123502294
4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide
CID 155519985
2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
CID 141037783
N-(1H-indol-6-ylmethyl)-2-isocyanoacetamide
CID 101429120
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
N-(4-ethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200612
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
CID 112529427

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide (CID 68637667) is N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide is O=C(NCc1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide?
The InChIKey is MQCQCSAGSRXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(22-13-14-6-7-16-10-11-21-19(16)12-14)18-9-8-17(23-24-18)15-4-2-1-3-5-15/h1-12,21H,13H2,(H,22,25).
What are the key properties of N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide?
N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 68637667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).