[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

C20H23N3O2 — CID 94820867

IUPAC[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccnc(NC3CC3)c2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H23N3O2/c1-14-12-23(13-18(25-14)15-5-3-2-4-6-15)20(24)16-9-10-21-19(11-16)22-17-7-8-17/h2-6,9-11,14,17-18H,7-8,12-13H2,1H3,(H,21,22)/t14-,18-/m0/s1
InChIKeyUKLRCLXVKMVFGP-KSSFIOAISA-N
MW337.42 g/mol
LogP3.26
Rot. Bonds4

About [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 94820867) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID94820867
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccnc(NC3CC3)c2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H23N3O2/c1-14-12-23(13-18(25-14)15-5-3-2-4-6-15)20(24)16-9-10-21-19(11-16)22-17-7-8-17/h2-6,9-11,14,17-18H,7-8,12-13H2,1H3,(H,21,22)/t14-,18-/m0/s1
InChIKeyUKLRCLXVKMVFGP-KSSFIOAISA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone 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-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 94820867) is [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccnc(NC3CC3)c2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is UKLRCLXVKMVFGP-KSSFIOAISA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-12-23(13-18(25-14)15-5-3-2-4-6-15)20(24)16-9-10-21-19(11-16)22-17-7-8-17/h2-6,9-11,14,17-18H,7-8,12-13H2,1H3,(H,21,22)/t14-,18-/m0/s1.
What are the key properties of [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 94820867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).