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

C23H23N5O — CID 109118016

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C23H23N5O/c1-16-6-2-3-7-17(16)14-26-22-11-10-21(27-28-22)23(29)24-13-12-18-15-25-20-9-5-4-8-19(18)20/h2-11,15,25H,12-14H2,1H3,(H,24,29)(H,26,28)
InChIKeyOYZQBGLMXNKFNA-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.85
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118016) 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-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118016
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C23H23N5O/c1-16-6-2-3-7-17(16)14-26-22-11-10-21(27-28-22)23(29)24-13-12-18-15-25-20-9-5-4-8-19(18)20/h2-11,15,25H,12-14H2,1H3,(H,24,29)(H,26,28)
InChIKeyOYZQBGLMXNKFNA-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-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118252
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858907
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118016) is N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1ccccc1CNc1ccc(C(=O)NCCc2c[nH]c3ccccc23)nn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is OYZQBGLMXNKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-6-2-3-7-17(16)14-26-22-11-10-21(27-28-22)23(29)24-13-12-18-15-25-20-9-5-4-8-19(18)20/h2-11,15,25H,12-14H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-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-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).