5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide

C15H24ClN3O2 — CID 65052981

IUPAC5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(COC)C(C)C)cc1Cl
InChIInChI=1S/C15H24ClN3O2/c1-5-6-17-14-12(16)7-11(8-18-14)15(20)19-13(9-21-4)10(2)3/h7-8,10,13H,5-6,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyWXRJIVUDZKHQML-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.96
Rot. Bonds8

About 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 65052981) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID65052981
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(COC)C(C)C)cc1Cl
InChIInChI=1S/C15H24ClN3O2/c1-5-6-17-14-12(16)7-11(8-18-14)15(20)19-13(9-21-4)10(2)3/h7-8,10,13H,5-6,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyWXRJIVUDZKHQML-UHFFFAOYSA-N
XLogP2.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 65053644
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283572
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 97327743

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide (CID 65052981) is 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NC(COC)C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is WXRJIVUDZKHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-5-6-17-14-12(16)7-11(8-18-14)15(20)19-13(9-21-4)10(2)3/h7-8,10,13H,5-6,9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 65052981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).