6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C14H21N3O2 — CID 115658002

IUPAC6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CCO)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(19)12-3-4-13(15-9-12)17-7-5-11(10-17)6-8-18/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKeySRWDYVQYNHGRTH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds4

About 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 115658002) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID115658002
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CCO)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-16(2)14(19)12-3-4-13(15-9-12)17-7-5-11(10-17)6-8-18/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKeySRWDYVQYNHGRTH-UHFFFAOYSA-N
XLogP0.99
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 115658002) is 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(CCO)C2)nc1.
What is the InChIKey of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is SRWDYVQYNHGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)14(19)12-3-4-13(15-9-12)17-7-5-11(10-17)6-8-18/h3-4,9,11,18H,5-8,10H2,1-2H3.
What are the key properties of 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 115658002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).