2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol

C14H23N3O — CID 65338174

IUPAC2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
SMILESCC(Nc1cccnc1N1CCCC1)C(C)(C)O
InChIInChI=1S/C14H23N3O/c1-11(14(2,3)18)16-12-7-6-8-15-13(12)17-9-4-5-10-17/h6-8,11,16,18H,4-5,9-10H2,1-3H3
InChIKeyFUOAFCCFXMBXRV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds4

About 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol

2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol (PubChem CID 65338174) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
PubChem CID65338174
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
SMILESCC(Nc1cccnc1N1CCCC1)C(C)(C)O
InChIInChI=1S/C14H23N3O/c1-11(14(2,3)18)16-12-7-6-8-15-13(12)17-9-4-5-10-17/h6-8,11,16,18H,4-5,9-10H2,1-3H3
InChIKeyFUOAFCCFXMBXRV-UHFFFAOYSA-N
XLogP2.25
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43779579
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922139
3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol
CID 43676485
N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 54881297
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676446
N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
CID 107444893
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676363
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
CID 107441431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol (CID 65338174) is 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol is CC(Nc1cccnc1N1CCCC1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol?
The InChIKey is FUOAFCCFXMBXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(14(2,3)18)16-12-7-6-8-15-13(12)17-9-4-5-10-17/h6-8,11,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol?
2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 65338174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).