N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H18N4O2 — CID 110795628

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C16H18N4O2/c1-10-11(12-4-2-3-5-13(12)18-10)8-9-17-16(22)14-6-7-15(21)20-19-14/h2-5,18H,6-9H2,1H3,(H,17,22)(H,20,21)
InChIKeyZXFZNDRUAJRQKZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110795628) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110795628
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C16H18N4O2/c1-10-11(12-4-2-3-5-13(12)18-10)8-9-17-16(22)14-6-7-15(21)20-19-14/h2-5,18H,6-9H2,1H3,(H,17,22)(H,20,21)
InChIKeyZXFZNDRUAJRQKZ-UHFFFAOYSA-N
XLogP1.40
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
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N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110795628) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZXFZNDRUAJRQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-11(12-4-2-3-5-13(12)18-10)8-9-17-16(22)14-6-7-15(21)20-19-14/h2-5,18H,6-9H2,1H3,(H,17,22)(H,20,21).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).