[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid

C20H24N4O3 — CID 170334022

IUPAC[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid
SMILESC[C@@H]1CN(c2cccc(/C=C/c3ccnc(CNC(=O)O)c3)n2)C[C@H](C)O1
InChIInChI=1S/C20H24N4O3/c1-14-12-24(13-15(2)27-14)19-5-3-4-17(23-19)7-6-16-8-9-21-18(10-16)11-22-20(25)26/h3-10,14-15,22H,11-13H2,1-2H3,(H,25,26)/b7-6+/t14-,15+
InChIKeyNXWPWPRQGFGWSL-JRIJJQDJSA-N
MW368.44 g/mol
LogP3.03
Rot. Bonds5

About [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid

[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid (PubChem CID 170334022) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid
PubChem CID170334022
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid
SMILESC[C@@H]1CN(c2cccc(/C=C/c3ccnc(CNC(=O)O)c3)n2)C[C@H](C)O1
InChIInChI=1S/C20H24N4O3/c1-14-12-24(13-15(2)27-14)19-5-3-4-17(23-19)7-6-16-8-9-21-18(10-16)11-22-20(25)26/h3-10,14-15,22H,11-13H2,1-2H3,(H,25,26)/b7-6+/t14-,15+
InChIKeyNXWPWPRQGFGWSL-JRIJJQDJSA-N
XLogP3.03
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methyl]carbamate
CID 170392088
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(1-hydroxyethyl)-5-methylpyridine-2-carboxamide
CID 176666774
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
(2R,6S)-2,6-dimethyl-4-(6-methyl-2-pyridinyl)morpholine
CID 89468985
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl] hydrogen carbonate
CID 118172748
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 62299451
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-trimethylstannane
CID 156818112
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
2-[6-[6-[(2S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]isoquinolin-3-yl]acetamide
CID 176666036

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid?
The IUPAC name of [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid (CID 170334022) is [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid?
The canonical SMILES for [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid is C[C@@H]1CN(c2cccc(/C=C/c3ccnc(CNC(=O)O)c3)n2)C[C@H](C)O1.
What is the InChIKey of [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid?
The InChIKey is NXWPWPRQGFGWSL-JRIJJQDJSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-12-24(13-15(2)27-14)19-5-3-4-17(23-19)7-6-16-8-9-21-18(10-16)11-22-20(25)26/h3-10,14-15,22H,11-13H2,1-2H3,(H,25,26)/b7-6+/t14-,15+.
What are the key properties of [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid?
[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid has a molecular weight of 368.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 170334022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).