N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

C23H23N5O — CID 109118252

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nn2)c1
InChIInChI=1S/C23H23N5O/c1-16-5-4-6-17(13-16)14-26-22-10-9-21(27-28-22)23(29)24-12-11-18-15-25-20-8-3-2-7-19(18)20/h2-10,13,15,25H,11-12,14H2,1H3,(H,24,29)(H,26,28)
InChIKeyNOGDLBICOLUEIX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118252) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118252
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nn2)c1
InChIInChI=1S/C23H23N5O/c1-16-5-4-6-17(13-16)14-26-22-10-9-21(27-28-22)23(29)24-12-11-18-15-25-20-8-3-2-7-19(18)20/h2-10,13,15,25H,11-12,14H2,1H3,(H,24,29)(H,26,28)
InChIKeyNOGDLBICOLUEIX-UHFFFAOYSA-N
XLogP3.85
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118236
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118252) is N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1cccc(CNc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nn2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is NOGDLBICOLUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-5-4-6-17(13-16)14-26-22-10-9-21(27-28-22)23(29)24-12-11-18-15-25-20-8-3-2-7-19(18)20/h2-10,13,15,25H,11-12,14H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).