2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide

C13H21N3O2 — CID 114230889

IUPAC2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)CCCO)cc(NC)n1
InChIInChI=1S/C13H21N3O2/c1-4-11-8-10(9-12(14-2)15-11)13(18)16(3)6-5-7-17/h8-9,17H,4-7H2,1-3H3,(H,14,15)
InChIKeyLQKZYBPWPRFPJO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds6

About 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide

2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 114230889) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID114230889
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)CCCO)cc(NC)n1
InChIInChI=1S/C13H21N3O2/c1-4-11-8-10(9-12(14-2)15-11)13(18)16(3)6-5-7-17/h8-9,17H,4-7H2,1-3H3,(H,14,15)
InChIKeyLQKZYBPWPRFPJO-UHFFFAOYSA-N
XLogP1.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide (CID 114230889) is 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide is CCc1cc(C(=O)N(C)CCCO)cc(NC)n1.
What is the InChIKey of 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is LQKZYBPWPRFPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-11-8-10(9-12(14-2)15-11)13(18)16(3)6-5-7-17/h8-9,17H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide?
2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-hydroxypropyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114230889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).