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

C11H15ClN2O2 — CID 18070777

IUPAC6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O2/c1-2-16-7-3-6-13-11(15)9-4-5-10(12)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyQRNCWPABHRLRFC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.89
Rot. Bonds6

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

6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide (PubChem CID 18070777) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
PubChem CID18070777
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN2O2/c1-2-16-7-3-6-13-11(15)9-4-5-10(12)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyQRNCWPABHRLRFC-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide
CID 19970338
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide (CID 18070777) is 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide is CCOCCCNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide?
The InChIKey is QRNCWPABHRLRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-7-3-6-13-11(15)9-4-5-10(12)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide?
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 18070777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).