[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone

C14H21N3O2 — CID 62173776

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2CCCC2CO)ccn1
InChIInChI=1S/C14H21N3O2/c1-2-6-15-13-9-11(5-7-16-13)14(19)17-8-3-4-12(17)10-18/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H,15,16)
InChIKeyTVCWSOWUMVAWBX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds5

About [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone (PubChem CID 62173776) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
PubChem CID62173776
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2CCCC2CO)ccn1
InChIInChI=1S/C14H21N3O2/c1-2-6-15-13-9-11(5-7-16-13)14(19)17-8-3-4-12(17)10-18/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H,15,16)
InChIKeyTVCWSOWUMVAWBX-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 104968822
[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640752
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62175903
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 63769851
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945
[2-(hydroxymethyl)azepan-1-yl]-[6-(propylamino)-2-pyridinyl]methanone
CID 116637902
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone (CID 62173776) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone is CCCNc1cc(C(=O)N2CCCC2CO)ccn1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
The InChIKey is TVCWSOWUMVAWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-6-15-13-9-11(5-7-16-13)14(19)17-8-3-4-12(17)10-18/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H,15,16).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 62173776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).