6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C14H21N3O2 — CID 112627949

IUPAC6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(O)C1CCN(c2ccc(C(=O)N(C)C)cn2)C1
InChIInChI=1S/C14H21N3O2/c1-10(18)12-6-7-17(9-12)13-5-4-11(8-15-13)14(19)16(2)3/h4-5,8,10,12,18H,6-7,9H2,1-3H3
InChIKeyIOFLRJPCFVLYEI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds3

About 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 112627949) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID112627949
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(O)C1CCN(c2ccc(C(=O)N(C)C)cn2)C1
InChIInChI=1S/C14H21N3O2/c1-10(18)12-6-7-17(9-12)13-5-4-11(8-15-13)14(19)16(2)3/h4-5,8,10,12,18H,6-7,9H2,1-3H3
InChIKeyIOFLRJPCFVLYEI-UHFFFAOYSA-N
XLogP0.99
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 112627949) is 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CC(O)C1CCN(c2ccc(C(=O)N(C)C)cn2)C1.
What is the InChIKey of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is IOFLRJPCFVLYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(18)12-6-7-17(9-12)13-5-4-11(8-15-13)14(19)16(2)3/h4-5,8,10,12,18H,6-7,9H2,1-3H3.
What are the key properties of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 112627949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).