3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide

C14H21N3O2 — CID 109399149

IUPAC3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1cnccc1CCNC(=O)N1CCC(CO)C1
InChIInChI=1S/C14H21N3O2/c1-11-8-15-5-2-13(11)3-6-16-14(19)17-7-4-12(9-17)10-18/h2,5,8,12,18H,3-4,6-7,9-10H2,1H3,(H,16,19)
InChIKeyGRZLGGKBERRIDD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 109399149) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID109399149
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1cnccc1CCNC(=O)N1CCC(CO)C1
InChIInChI=1S/C14H21N3O2/c1-11-8-15-5-2-13(11)3-6-16-14(19)17-7-4-12(9-17)10-18/h2,5,8,12,18H,3-4,6-7,9-10H2,1H3,(H,16,19)
InChIKeyGRZLGGKBERRIDD-UHFFFAOYSA-N
XLogP0.96
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 111117261
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75519799
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443472
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114701386
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide (CID 109399149) is 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide is Cc1cnccc1CCNC(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GRZLGGKBERRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-8-15-5-2-13(11)3-6-16-14(19)17-7-4-12(9-17)10-18/h2,5,8,12,18H,3-4,6-7,9-10H2,1H3,(H,16,19).
What are the key properties of 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 109399149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).