6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride

C12H19Cl2N3O — CID 88751278

IUPAC6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(C)NC(=O)c1ccc(Cl)nc1.Cl
InChIInChI=1S/C12H18ClN3O.ClH/c1-4-16(5-2)9(3)15-12(17)10-6-7-11(13)14-8-10;/h6-9H,4-5H2,1-3H3,(H,15,17);1H
InChIKeyWFUUIJOGUVRRBY-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.57
Rot. Bonds5

About 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride

6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 88751278) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
PubChem CID88751278
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
SMILESCCN(CC)C(C)NC(=O)c1ccc(Cl)nc1.Cl
InChIInChI=1S/C12H18ClN3O.ClH/c1-4-16(5-2)9(3)15-12(17)10-6-7-11(13)14-8-10;/h6-9H,4-5H2,1-3H3,(H,15,17);1H
InChIKeyWFUUIJOGUVRRBY-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(2R)-5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 38988276
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 113406887
6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
CID 115673226
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide
CID 68598587

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride (CID 88751278) is 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride is CCN(CC)C(C)NC(=O)c1ccc(Cl)nc1.Cl.
What is the InChIKey of 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is WFUUIJOGUVRRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O.ClH/c1-4-16(5-2)9(3)15-12(17)10-6-7-11(13)14-8-10;/h6-9H,4-5H2,1-3H3,(H,15,17);1H.
What are the key properties of 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride?
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 88751278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).