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

C25H26N4O3 — CID 92592677

IUPAC(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C25H26N4O3/c1-2-28-24(31)25(15-19-7-9-20(10-8-19)21-5-3-11-26-16-21)18-29(13-14-32-25)23(30)22-6-4-12-27-17-22/h3-12,16-17H,2,13-15,18H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyGOWGSKIGEPMDIB-RUZDIDTESA-N
MW430.51 g/mol
LogP2.73
Rot. Bonds6

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

(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92592677) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92592677
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C25H26N4O3/c1-2-28-24(31)25(15-19-7-9-20(10-8-19)21-5-3-11-26-16-21)18-29(13-14-32-25)23(30)22-6-4-12-27-17-22/h3-12,16-17H,2,13-15,18H2,1H3,(H,28,31)/t25-/m1/s1
InChIKeyGOWGSKIGEPMDIB-RUZDIDTESA-N
XLogP2.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 92592685
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
(2S)-4-(cyclohexanecarbonyl)-N-prop-2-enyl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92548678
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951
(3R)-N-ethyl-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92592083
N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 110253807
(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848988
N-ethyl-1-(pyridine-3-carbonyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083678
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
(2R)-4-(2-methoxy-3-methylbenzoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848975

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92592677) is (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cccnc2)CCO1.
What is the InChIKey of (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is GOWGSKIGEPMDIB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N4O3/c1-2-28-24(31)25(15-19-7-9-20(10-8-19)21-5-3-11-26-16-21)18-29(13-14-32-25)23(30)22-6-4-12-27-17-22/h3-12,16-17H,2,13-15,18H2,1H3,(H,28,31)/t25-/m1/s1.
What are the key properties of (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92592677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).