(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium

C17H19N2O2Y- — CID 58860972

IUPAC(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium
SMILESCc1[c-]cc(NC(=O)[C@@](C)(O)CCc2ccncc2)cc1.[Y]
InChIInChI=1S/C17H19N2O2.Y/c1-13-3-5-15(6-4-13)19-16(20)17(2,21)10-7-14-8-11-18-12-9-14;/h3,5-6,8-9,11-12,21H,7,10H2,1-2H3,(H,19,20);/q-1;/t17-;/m0./s1
InChIKeyIBAJHJVDIHIWJG-LMOVPXPDSA-N
MW372.26 g/mol
LogP2.51
Rot. Bonds5

About (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium

(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium (PubChem CID 58860972) has the molecular formula C17H19N2O2Y- and a molecular weight of 372.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium
PubChem CID58860972
Molecular FormulaC17H19N2O2Y-
Molecular Weight372.26 g/mol
Exact Mass372.05
IUPAC Name(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium
SMILESCc1[c-]cc(NC(=O)[C@@](C)(O)CCc2ccncc2)cc1.[Y]
InChIInChI=1S/C17H19N2O2.Y/c1-13-3-5-15(6-4-13)19-16(20)17(2,21)10-7-14-8-11-18-12-9-14;/h3,5-6,8-9,11-12,21H,7,10H2,1-2H3,(H,19,20);/q-1;/t17-;/m0./s1
InChIKeyIBAJHJVDIHIWJG-LMOVPXPDSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxycyclohexyl)-6-pyridin-4-ylhexanamide
CID 154665762
N-(4-hydroxycyclohexyl)-6-pyridin-3-ylhexanamide
CID 154665764
(R)-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747794
3-(3-ethyl-4-pyridinyl)-N-(2-methylphenyl)propanamide
CID 1042786
(S)-N-(1-hydroxy-3-phenylpropan-2-yl)-2-(pyridin-4-yl)acetamide
CID 24747793
4-phenyl-N-(1-pyridin-4-ylethyl)butanamide
CID 2971219
N-[4-(pyridin-4-ylmethyl)phenyl]hexanamide
CID 3110124
2-methyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 5459548
2-hydroxy-2,2-diphenyl-N-(pyridin-4-ylmethyl)acetamide
CID 685867
N-(2-bromo-4-pyridinyl)-2-butyl-2-hydroxyhexanamide
CID 71557751
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
CID 71558240
Boc-3-(4-pyridyl)-D-alanine
CID 2734503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium?
The IUPAC name of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium (CID 58860972) is (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium is Cc1[c-]cc(NC(=O)[C@@](C)(O)CCc2ccncc2)cc1.[Y].
What is the InChIKey of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium?
The InChIKey is IBAJHJVDIHIWJG-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H19N2O2.Y/c1-13-3-5-15(6-4-13)19-16(20)17(2,21)10-7-14-8-11-18-12-9-14;/h3,5-6,8-9,11-12,21H,7,10H2,1-2H3,(H,19,20);/q-1;/t17-;/m0./s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium?
(2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium has a molecular weight of 372.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-N-(4-methylbenzene-5-id-1-yl)-4-pyridin-4-ylbutanamide;yttrium is sourced from PubChem (CID 58860972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).