6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide

C12H15ClN2O2 — CID 102610570

IUPAC6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
SMILESCCOC1CC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C12H15ClN2O2/c1-2-17-10-5-9(6-10)15-12(16)8-3-4-11(13)14-7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H,15,16)
InChIKeyZDSHQYAYNFJCSP-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.03
Rot. Bonds4

About 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide

6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide (PubChem CID 102610570) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
PubChem CID102610570
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
SMILESCCOC1CC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C12H15ClN2O2/c1-2-17-10-5-9(6-10)15-12(16)8-3-4-11(13)14-7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H,15,16)
InChIKeyZDSHQYAYNFJCSP-UHFFFAOYSA-N
XLogP2.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
CID 102612131
4-cyano-N-(3-ethoxycyclobutyl)benzamide
CID 102610611
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
4-bromo-N-(3-ethoxycyclobutyl)-3-hydroxybenzamide
CID 102673953
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide (CID 102610570) is 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide is CCOC1CC(NC(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide?
The InChIKey is ZDSHQYAYNFJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-17-10-5-9(6-10)15-12(16)8-3-4-11(13)14-7-8/h3-4,7,9-10H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide?
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 102610570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).