(2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid

C23H29N3O5 — CID 66988213

IUPAC(2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
SMILESCc1cc(CN(C(=O)O)[C@@](C)(Cc2ccc(O)cc2)C(=O)N2CCOCC2)cc(C)n1
InChIInChI=1S/C23H29N3O5/c1-16-12-19(13-17(2)24-16)15-26(22(29)30)23(3,14-18-4-6-20(27)7-5-18)21(28)25-8-10-31-11-9-25/h4-7,12-13,27H,8-11,14-15H2,1-3H3,(H,29,30)/t23-/m0/s1
InChIKeyPALOWNSFWIUOFK-QHCPKHFHSA-N
MW427.50 g/mol
LogP2.74
Rot. Bonds6

About (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid

(2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid (PubChem CID 66988213) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
PubChem CID66988213
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name(2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
SMILESCc1cc(CN(C(=O)O)[C@@](C)(Cc2ccc(O)cc2)C(=O)N2CCOCC2)cc(C)n1
InChIInChI=1S/C23H29N3O5/c1-16-12-19(13-17(2)24-16)15-26(22(29)30)23(3,14-18-4-6-20(27)7-5-18)21(28)25-8-10-31-11-9-25/h4-7,12-13,27H,8-11,14-15H2,1-3H3,(H,29,30)/t23-/m0/s1
InChIKeyPALOWNSFWIUOFK-QHCPKHFHSA-N
XLogP2.74
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid (CID 66988213) is (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid is Cc1cc(CN(C(=O)O)[C@@](C)(Cc2ccc(O)cc2)C(=O)N2CCOCC2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
The InChIKey is PALOWNSFWIUOFK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-16-12-19(13-17(2)24-16)15-26(22(29)30)23(3,14-18-4-6-20(27)7-5-18)21(28)25-8-10-31-11-9-25/h4-7,12-13,27H,8-11,14-15H2,1-3H3,(H,29,30)/t23-/m0/s1.
What are the key properties of (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid?
(2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 427.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)methyl-[(2S)-3-(4-hydroxyphenyl)-2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 66988213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).