N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C27H29N3O3 — CID 110233020

IUPACN-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2cccc(C)c2)CCO1
InChIInChI=1S/C27H29N3O3/c1-20-5-3-6-21(15-20)17-25(31)30-13-14-33-27(19-30,26(32)28-2)18-22-7-4-8-24(16-22)23-9-11-29-12-10-23/h3-12,15-16H,13-14,17-19H2,1-2H3,(H,28,32)
InChIKeyYWIGQIVFEXAXAX-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.19
Rot. Bonds6

About N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110233020) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110233020
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2cccc(C)c2)CCO1
InChIInChI=1S/C27H29N3O3/c1-20-5-3-6-21(15-20)17-25(31)30-13-14-33-27(19-30,26(32)28-2)18-22-7-4-8-24(16-22)23-9-11-29-12-10-23/h3-12,15-16H,13-14,17-19H2,1-2H3,(H,28,32)
InChIKeyYWIGQIVFEXAXAX-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(3S)-N,N-dimethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92560568
(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92551794
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 110233020) is N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2cccc(C)c2)CCO1.
What is the InChIKey of N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is YWIGQIVFEXAXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-20-5-3-6-21(15-20)17-25(31)30-13-14-33-27(19-30,26(32)28-2)18-22-7-4-8-24(16-22)23-9-11-29-12-10-23/h3-12,15-16H,13-14,17-19H2,1-2H3,(H,28,32).
What are the key properties of N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110233020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).