5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide

C13H20ClN3O2 — CID 62181483

IUPAC5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(CC)CCO)cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-3-5-15-12-11(14)8-10(9-16-12)13(19)17(4-2)6-7-18/h8-9,18H,3-7H2,1-2H3,(H,15,16)
InChIKeyTUVYIFQDSYRTHA-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.01
Rot. Bonds7

About 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62181483) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62181483
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(CC)CCO)cc1Cl
InChIInChI=1S/C13H20ClN3O2/c1-3-5-15-12-11(14)8-10(9-16-12)13(19)17(4-2)6-7-18/h8-9,18H,3-7H2,1-2H3,(H,15,16)
InChIKeyTUVYIFQDSYRTHA-UHFFFAOYSA-N
XLogP2.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
5,6-dichloro-N-(4-methylpyridin-2-yl)pyridine-3-carboxamide
CID 2365419
4-Chloro-6-(methylamino)pyridine-3-carboxamide
CID 156831806
(S)-5-chloro-N-methyl-6-(3-methyl-4-(1-(trifluoromethyl)piperidin-4-yl)piperazin-1-yl)nicotinamide
CID 53322460
5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-(hydroxymethyl)piperazin-1-yl)-N-methylnicotinamide
CID 53323854
N-(5-chloropyridin-2-yl)pyridine-3-carboxamide
CID 765760
N-isopropyl-6-morpholinonicotinamide
CID 3809944
[6-(5-Chloro-pyridin-2-ylamino)-pyridin-3-yl]-piperidin-1-yl-methanone
CID 23725388
US10023562, Example 50
CID 75202518
N-(3-chlorophenyl)-2-[[1-(hydroxymethyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 57398054
N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 118712287
N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 118712288

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide (CID 62181483) is 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)N(CC)CCO)cc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is TUVYIFQDSYRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-5-15-12-11(14)8-10(9-16-12)13(19)17(4-2)6-7-18/h8-9,18H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62181483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).