5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide

C18H25ClN2O3 — CID 95782529

IUPAC5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)cc1Cl
InChIInChI=1S/C18H25ClN2O3/c1-3-23-15-10-14(18(15)7-5-6-8-18)21-16(22)12-9-13(19)17(20-11-12)24-4-2/h9,11,14-15H,3-8,10H2,1-2H3,(H,21,22)/t14-,15+/m0/s1
InChIKeyVMBOHZZDWXVSEU-LSDHHAIUSA-N
MW352.86 g/mol
LogP3.60
Rot. Bonds6

About 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide

5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide (PubChem CID 95782529) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
PubChem CID95782529
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)cc1Cl
InChIInChI=1S/C18H25ClN2O3/c1-3-23-15-10-14(18(15)7-5-6-8-18)21-16(22)12-9-13(19)17(20-11-12)24-4-2/h9,11,14-15H,3-8,10H2,1-2H3,(H,21,22)/t14-,15+/m0/s1
InChIKeyVMBOHZZDWXVSEU-LSDHHAIUSA-N
XLogP3.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
N-(3-ethoxyspiro[3.4]octan-1-yl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 75379390
N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97100665
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-(2,6-dichlorophenyl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99810940
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
CID 133341301
5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
CID 100610935
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 129434925
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97100590

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide (CID 95782529) is 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide is CCOc1ncc(C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)cc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide?
The InChIKey is VMBOHZZDWXVSEU-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-3-23-15-10-14(18(15)7-5-6-8-18)21-16(22)12-9-13(19)17(20-11-12)24-4-2/h9,11,14-15H,3-8,10H2,1-2H3,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide?
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95782529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).