2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

C14H21N3O2 — CID 133397673

IUPAC2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCCC(C(C)O)C1
InChIInChI=1S/C14H21N3O2/c1-10(18)11-5-4-8-17(9-11)13-12(14(19)15-2)6-3-7-16-13/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3,(H,15,19)
InChIKeySAHDZWZNJIILAD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds3

About 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 133397673) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID133397673
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCCC(C(C)O)C1
InChIInChI=1S/C14H21N3O2/c1-10(18)11-5-4-8-17(9-11)13-12(14(19)15-2)6-3-7-16-13/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3,(H,15,19)
InChIKeySAHDZWZNJIILAD-UHFFFAOYSA-N
XLogP1.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 133397673) is 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCCC(C(C)O)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is SAHDZWZNJIILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(18)11-5-4-8-17(9-11)13-12(14(19)15-2)6-3-7-16-13/h3,6-7,10-11,18H,4-5,8-9H2,1-2H3,(H,15,19).
What are the key properties of 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133397673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).