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

C15H24ClN3O2 — CID 62180165

IUPACN-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1nc(NCCC)ccc1Cl
InChIInChI=1S/C15H24ClN3O2/c1-3-5-9-19(10-11-20)15(21)14-12(16)6-7-13(18-14)17-8-4-2/h6-7,20H,3-5,8-11H2,1-2H3,(H,17,18)
InChIKeyIJAWFALJGXOWHS-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.79
Rot. Bonds9

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

N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62180165) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62180165
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1nc(NCCC)ccc1Cl
InChIInChI=1S/C15H24ClN3O2/c1-3-5-9-19(10-11-20)15(21)14-12(16)6-7-13(18-14)17-8-4-2/h6-7,20H,3-5,8-11H2,1-2H3,(H,17,18)
InChIKeyIJAWFALJGXOWHS-UHFFFAOYSA-N
XLogP2.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide (CID 62180165) is N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide is CCCCN(CCO)C(=O)c1nc(NCCC)ccc1Cl.
What is the InChIKey of N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is IJAWFALJGXOWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-3-5-9-19(10-11-20)15(21)14-12(16)6-7-13(18-14)17-8-4-2/h6-7,20H,3-5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide?
N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62180165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).