3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide

C25H32N4O3 — CID 125007431

IUPAC3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCN(C(=O)CN1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1)C1CCCCC1
InChIInChI=1S/C25H32N4O3/c1-28(20-9-3-2-4-10-20)24(30)17-29-13-14-32-23(16-29)22-12-6-11-21(27-22)18-7-5-8-19(15-18)25(26)31/h5-8,11-12,15,20,23H,2-4,9-10,13-14,16-17H2,1H3,(H2,26,31)/t23-/m0/s1
InChIKeyUNKBUJGHOWMEIG-QHCPKHFHSA-N
MW436.56 g/mol
LogP3.01
Rot. Bonds6

About 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide

3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 125007431) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID125007431
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCN(C(=O)CN1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1)C1CCCCC1
InChIInChI=1S/C25H32N4O3/c1-28(20-9-3-2-4-10-20)24(30)17-29-13-14-32-23(16-29)22-12-6-11-21(27-22)18-7-5-8-19(15-18)25(26)31/h5-8,11-12,15,20,23H,2-4,9-10,13-14,16-17H2,1H3,(H2,26,31)/t23-/m0/s1
InChIKeyUNKBUJGHOWMEIG-QHCPKHFHSA-N
XLogP3.01
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 125007431) is 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide is CN(C(=O)CN1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1)C1CCCCC1.
What is the InChIKey of 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is UNKBUJGHOWMEIG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-28(20-9-3-2-4-10-20)24(30)17-29-13-14-32-23(16-29)22-12-6-11-21(27-22)18-7-5-8-19(15-18)25(26)31/h5-8,11-12,15,20,23H,2-4,9-10,13-14,16-17H2,1H3,(H2,26,31)/t23-/m0/s1.
What are the key properties of 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).