(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide

C15H22N2O2 — CID 70412443

IUPAC(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
SMILESO=C(NCC1CCCCC1)[C@@H](O)Cc1ccccn1
InChIInChI=1S/C15H22N2O2/c18-14(10-13-8-4-5-9-16-13)15(19)17-11-12-6-2-1-3-7-12/h4-5,8-9,12,14,18H,1-3,6-7,10-11H2,(H,17,19)/t14-/m0/s1
InChIKeyKNVQSTQUXQYYLZ-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.68
Rot. Bonds5

About (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide

(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide (PubChem CID 70412443) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
PubChem CID70412443
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
SMILESO=C(NCC1CCCCC1)[C@@H](O)Cc1ccccn1
InChIInChI=1S/C15H22N2O2/c18-14(10-13-8-4-5-9-16-13)15(19)17-11-12-6-2-1-3-7-12/h4-5,8-9,12,14,18H,1-3,6-7,10-11H2,(H,17,19)/t14-/m0/s1
InChIKeyKNVQSTQUXQYYLZ-AWEZNQCLSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide (CID 70412443) is (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide is O=C(NCC1CCCCC1)[C@@H](O)Cc1ccccn1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide?
The InChIKey is KNVQSTQUXQYYLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(10-13-8-4-5-9-16-13)15(19)17-11-12-6-2-1-3-7-12/h4-5,8-9,12,14,18H,1-3,6-7,10-11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide?
(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 70412443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).