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

C25H26N4O3 — CID 110232882

IUPACN-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccn2)CCO1
InChIInChI=1S/C25H26N4O3/c1-2-27-24(31)25(16-19-8-3-4-10-21(19)20-9-7-12-26-17-20)18-29(14-15-32-25)23(30)22-11-5-6-13-28-22/h3-13,17H,2,14-16,18H2,1H3,(H,27,31)
InChIKeyMNYQDLLKSFFGMF-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.73
Rot. Bonds6

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

N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232882) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232882
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccn2)CCO1
InChIInChI=1S/C25H26N4O3/c1-2-27-24(31)25(16-19-8-3-4-10-21(19)20-9-7-12-26-17-20)18-29(14-15-32-25)23(30)22-11-5-6-13-28-22/h3-13,17H,2,14-16,18H2,1H3,(H,27,31)
InChIKeyMNYQDLLKSFFGMF-UHFFFAOYSA-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

(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
N-ethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232858
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610151
(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232865
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553113
(3S)-N-ethyl-1-(pyridine-2-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232882) is N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccn2)CCO1.
What is the InChIKey of N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is MNYQDLLKSFFGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-2-27-24(31)25(16-19-8-3-4-10-21(19)20-9-7-12-26-17-20)18-29(14-15-32-25)23(30)22-11-5-6-13-28-22/h3-13,17H,2,14-16,18H2,1H3,(H,27,31).
What are the key properties of N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-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 N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).