(3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide

C18H22N2O3 — CID 124624551

IUPAC(3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide
SMILESCc1cc(NC(=O)C[C@H](O)C(C)C)ccc1Oc1ccncc1
InChIInChI=1S/C18H22N2O3/c1-12(2)16(21)11-18(22)20-14-4-5-17(13(3)10-14)23-15-6-8-19-9-7-15/h4-10,12,16,21H,11H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyOCHQDEOSCROVCX-INIZCTEOSA-N
MW314.38 g/mol
LogP3.53
Rot. Bonds6

About (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide

(3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide (PubChem CID 124624551) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide
PubChem CID124624551
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide
SMILESCc1cc(NC(=O)C[C@H](O)C(C)C)ccc1Oc1ccncc1
InChIInChI=1S/C18H22N2O3/c1-12(2)16(21)11-18(22)20-14-4-5-17(13(3)10-14)23-15-6-8-19-9-7-15/h4-10,12,16,21H,11H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyOCHQDEOSCROVCX-INIZCTEOSA-N
XLogP3.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide?
The IUPAC name of (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide (CID 124624551) is (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide.
What is the SMILES notation for (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide?
The canonical SMILES for (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide is Cc1cc(NC(=O)C[C@H](O)C(C)C)ccc1Oc1ccncc1.
What is the InChIKey of (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide?
The InChIKey is OCHQDEOSCROVCX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)16(21)11-18(22)20-14-4-5-17(13(3)10-14)23-15-6-8-19-9-7-15/h4-10,12,16,21H,11H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide?
(3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide has a molecular weight of 314.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-methyl-N-(3-methyl-4-pyridin-4-yloxyphenyl)pentanamide is sourced from PubChem (CID 124624551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).