(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C24H26N4O2 — CID 92610184

IUPAC(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C24H26N4O2/c1-25-23(29)24(18-28(12-13-30-24)17-19-7-10-26-11-8-19)15-20-4-2-5-21(14-20)22-6-3-9-27-16-22/h2-11,14,16H,12-13,15,17-18H2,1H3,(H,25,29)/t24-/m0/s1
InChIKeyJQJUPSGKDFRXSJ-DEOSSOPVSA-N
MW402.50 g/mol
LogP2.70
Rot. Bonds6

About (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92610184) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92610184
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C24H26N4O2/c1-25-23(29)24(18-28(12-13-30-24)17-19-7-10-26-11-8-19)15-20-4-2-5-21(14-20)22-6-3-9-27-16-22/h2-11,14,16H,12-13,15,17-18H2,1H3,(H,25,29)/t24-/m0/s1
InChIKeyJQJUPSGKDFRXSJ-DEOSSOPVSA-N
XLogP2.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
(2R)-N-methyl-4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610175
(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605794
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92595329
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233044
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92610184) is (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1.
What is the InChIKey of (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is JQJUPSGKDFRXSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-25-23(29)24(18-28(12-13-30-24)17-19-7-10-26-11-8-19)15-20-4-2-5-21(14-20)22-6-3-9-27-16-22/h2-11,14,16H,12-13,15,17-18H2,1H3,(H,25,29)/t24-/m0/s1.
What are the key properties of (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92610184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).