3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide

C18H21N3O3 — CID 97065230

IUPAC3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1CC
InChIInChI=1S/C18H21N3O3/c1-3-11-13(4-2)20-21-18(24)15(11)17(23)19-16-12-8-6-5-7-10(12)9-14(16)22/h5-8,14,16,22H,3-4,9H2,1-2H3,(H,19,23)(H,21,24)/t14-,16+/m1/s1
InChIKeyNYSIPGZFYHIKPG-ZBFHGGJFSA-N
MW327.38 g/mol
LogP1.28
Rot. Bonds4

About 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide

3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 97065230) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID97065230
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1CC
InChIInChI=1S/C18H21N3O3/c1-3-11-13(4-2)20-21-18(24)15(11)17(23)19-16-12-8-6-5-7-10(12)9-14(16)22/h5-8,14,16,22H,3-4,9H2,1-2H3,(H,19,23)(H,21,24)/t14-,16+/m1/s1
InChIKeyNYSIPGZFYHIKPG-ZBFHGGJFSA-N
XLogP1.28
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 139007457
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
3-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 99842360
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 102738989
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 136580689
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 103870017
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide (CID 97065230) is 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide is CCc1n[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1CC.
What is the InChIKey of 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is NYSIPGZFYHIKPG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-11-13(4-2)20-21-18(24)15(11)17(23)19-16-12-8-6-5-7-10(12)9-14(16)22/h5-8,14,16,22H,3-4,9H2,1-2H3,(H,19,23)(H,21,24)/t14-,16+/m1/s1.
What are the key properties of 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide?
3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 97065230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).