[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone

C14H21N3O2 — CID 104642023

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(CO)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-2-6-15-12-3-4-13(16-8-12)14(19)17-7-5-11(9-17)10-18/h3-4,8,11,15,18H,2,5-7,9-10H2,1H3
InChIKeyVHLDYIWUOZAFEG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.36
Rot. Bonds5

About [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone (PubChem CID 104642023) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
PubChem CID104642023
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(CO)C2)nc1
InChIInChI=1S/C14H21N3O2/c1-2-6-15-12-3-4-13(16-8-12)14(19)17-7-5-11(9-17)10-18/h3-4,8,11,15,18H,2,5-7,9-10H2,1H3
InChIKeyVHLDYIWUOZAFEG-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
(2-methylmorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 104639909
(2,6-dimethylthiomorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 104641462
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 62185374
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
[6-[(3R)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl] carbamate
CID 175372374
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
CID 104641244

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone (CID 104642023) is [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CCC(CO)C2)nc1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone?
The InChIKey is VHLDYIWUOZAFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-6-15-12-3-4-13(16-8-12)14(19)17-7-5-11(9-17)10-18/h3-4,8,11,15,18H,2,5-7,9-10H2,1H3.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104642023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).