[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol

C14H23N3O — CID 79318503

IUPAC[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
SMILESCCN1CCCC1CN(C)c1ccnc(CO)c1
InChIInChI=1S/C14H23N3O/c1-3-17-8-4-5-14(17)10-16(2)13-6-7-15-12(9-13)11-18/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3
InChIKeyIXMCMDAVKBCPOI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds5

About [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol

[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol (PubChem CID 79318503) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
PubChem CID79318503
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
SMILESCCN1CCCC1CN(C)c1ccnc(CO)c1
InChIInChI=1S/C14H23N3O/c1-3-17-8-4-5-14(17)10-16(2)13-6-7-15-12(9-13)11-18/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3
InChIKeyIXMCMDAVKBCPOI-UHFFFAOYSA-N
XLogP1.49
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
[4-[(1-ethylpiperidin-4-yl)-methylamino]-2-pyridinyl]methanol
CID 55003019
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine
CID 90164810
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215409
[4-[cyclopentyl(methyl)amino]-2-pyridinyl]methanol
CID 61255816
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 79319429
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol?
The IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol (CID 79318503) is [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol is CCN1CCCC1CN(C)c1ccnc(CO)c1.
What is the InChIKey of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol?
The InChIKey is IXMCMDAVKBCPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17-8-4-5-14(17)10-16(2)13-6-7-15-12(9-13)11-18/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol?
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 79318503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).