N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide

C13H19N3O2 — CID 61409376

IUPACN-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCCC2CO)ccn1
InChIInChI=1S/C13H19N3O2/c1-2-14-13(18)12-8-10(5-6-15-12)16-7-3-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,14,18)
InChIKeyDBELRQRZGTUBBT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide

N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 61409376) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID61409376
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCCC2CO)ccn1
InChIInChI=1S/C13H19N3O2/c1-2-14-13(18)12-8-10(5-6-15-12)16-7-3-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,14,18)
InChIKeyDBELRQRZGTUBBT-UHFFFAOYSA-N
XLogP0.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409424
N-ethyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 62275462
4-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202928
N-ethyl-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63854741
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751
1-[2-(ethylcarbamoyl)-4-pyridinyl]-2-methylpiperidine-4-carboxylic acid
CID 106742554
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
4-[2-(ethylcarbamoyl)-4-pyridinyl]thiomorpholine-3-carboxylic acid
CID 82901293
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide (CID 61409376) is N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide is CCNC(=O)c1cc(N2CCCC2CO)ccn1.
What is the InChIKey of N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is DBELRQRZGTUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-14-13(18)12-8-10(5-6-15-12)16-7-3-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,14,18).
What are the key properties of N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 61409376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).