[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid

C20H24ClN3O4 — CID 139392909

IUPAC[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2cc(N3CCOC(C)C3C)ncc2Cl)cc1
InChIInChI=1S/C20H24ClN3O4/c1-13-14(2)28-9-8-23(13)19-10-18(17(21)11-22-19)24(20(25)26)12-15-4-6-16(27-3)7-5-15/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,25,26)
InChIKeyKWWISDKVGBVQHH-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.04
Rot. Bonds5

About [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid

[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid (PubChem CID 139392909) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
PubChem CID139392909
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2cc(N3CCOC(C)C3C)ncc2Cl)cc1
InChIInChI=1S/C20H24ClN3O4/c1-13-14(2)28-9-8-23(13)19-10-18(17(21)11-22-19)24(20(25)26)12-15-4-6-16(27-3)7-5-15/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,25,26)
InChIKeyKWWISDKVGBVQHH-UHFFFAOYSA-N
XLogP4.04
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid?
The IUPAC name of [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid (CID 139392909) is [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid?
The canonical SMILES for [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid is COc1ccc(CN(C(=O)O)c2cc(N3CCOC(C)C3C)ncc2Cl)cc1.
What is the InChIKey of [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid?
The InChIKey is KWWISDKVGBVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c1-13-14(2)28-9-8-23(13)19-10-18(17(21)11-22-19)24(20(25)26)12-15-4-6-16(27-3)7-5-15/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,25,26).
What are the key properties of [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid?
[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid has a molecular weight of 405.88 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 139392909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).