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

C15H23N3O2 — CID 61409424

IUPACN,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCCC2CO)ccn1
InChIInChI=1S/C15H23N3O2/c1-3-17(4-2)15(20)14-10-12(7-8-16-14)18-9-5-6-13(18)11-19/h7-8,10,13,19H,3-6,9,11H2,1-2H3
InChIKeyRXZPGKAIVYYJTP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.52
Rot. Bonds5

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

N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 61409424) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID61409424
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCCC2CO)ccn1
InChIInChI=1S/C15H23N3O2/c1-3-17(4-2)15(20)14-10-12(7-8-16-14)18-9-5-6-13(18)11-19/h7-8,10,13,19H,3-6,9,11H2,1-2H3
InChIKeyRXZPGKAIVYYJTP-UHFFFAOYSA-N
XLogP1.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
4-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202928
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640752
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide (CID 61409424) is N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(N2CCCC2CO)ccn1.
What is the InChIKey of N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is RXZPGKAIVYYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17(4-2)15(20)14-10-12(7-8-16-14)18-9-5-6-13(18)11-19/h7-8,10,13,19H,3-6,9,11H2,1-2H3.
What are the key properties of N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 61409424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).