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

C24H24N4O3 — CID 92610136

IUPAC(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccn2)CCO1
InChIInChI=1S/C24H24N4O3/c1-25-23(30)24(15-18-6-4-7-19(14-18)20-8-5-10-26-16-20)17-28(12-13-31-24)22(29)21-9-2-3-11-27-21/h2-11,14,16H,12-13,15,17H2,1H3,(H,25,30)/t24-/m0/s1
InChIKeyDTLJDWWXBMBQLY-DEOSSOPVSA-N
MW416.48 g/mol
LogP2.34
Rot. Bonds5

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

(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92610136) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92610136
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccn2)CCO1
InChIInChI=1S/C24H24N4O3/c1-25-23(30)24(15-18-6-4-7-19(14-18)20-8-5-10-26-16-20)17-28(12-13-31-24)22(29)21-9-2-3-11-27-21/h2-11,14,16H,12-13,15,17H2,1H3,(H,25,30)/t24-/m0/s1
InChIKeyDTLJDWWXBMBQLY-DEOSSOPVSA-N
XLogP2.34
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610175
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610184
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92595329
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610112
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92610136) is (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2ccccn2)CCO1.
What is the InChIKey of (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is DTLJDWWXBMBQLY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-25-23(30)24(15-18-6-4-7-19(14-18)20-8-5-10-26-16-20)17-28(12-13-31-24)22(29)21-9-2-3-11-27-21/h2-11,14,16H,12-13,15,17H2,1H3,(H,25,30)/t24-/m0/s1.
What are the key properties of (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92610136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).