6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol

C15H22N4O — CID 95298588

IUPAC6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2nc(C)ccc2O)c1
InChIInChI=1S/C15H22N4O/c1-10-7-17-19(9-10)13(4)12(3)16-8-14-15(20)6-5-11(2)18-14/h5-7,9,12-13,16,20H,8H2,1-4H3/t12-,13+/m1/s1
InChIKeyQMVJVCXJNCOBNA-OLZOCXBDSA-N
MW274.37 g/mol
LogP2.34
Rot. Bonds5

About 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol

6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol (PubChem CID 95298588) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
PubChem CID95298588
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2nc(C)ccc2O)c1
InChIInChI=1S/C15H22N4O/c1-10-7-17-19(9-10)13(4)12(3)16-8-14-15(20)6-5-11(2)18-14/h5-7,9,12-13,16,20H,8H2,1-4H3/t12-,13+/m1/s1
InChIKeyQMVJVCXJNCOBNA-OLZOCXBDSA-N
XLogP2.34
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol with MolForge

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Related Compounds

6-methyl-2-[(3-methylbutan-2-ylamino)methyl]pyridin-3-ol
CID 78928516
6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 78928839
2-[(3-ethylpentan-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 78952615
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
6-methyl-2-[[1-(4-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928742
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
(2R,3R)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95759659
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]butanenitrile
CID 104586935
(2R,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291818
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291817

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol (CID 95298588) is 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol is Cc1cnn([C@@H](C)[C@@H](C)NCc2nc(C)ccc2O)c1.
What is the InChIKey of 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol?
The InChIKey is QMVJVCXJNCOBNA-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-7-17-19(9-10)13(4)12(3)16-8-14-15(20)6-5-11(2)18-14/h5-7,9,12-13,16,20H,8H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol?
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol has a molecular weight of 274.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 95298588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).