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

C24H25N3O3S — CID 110232941

IUPACN-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C24H25N3O3S/c1-2-26-23(29)24(14-18-6-3-4-8-21(18)20-9-13-31-16-20)17-27(11-12-30-24)22(28)19-7-5-10-25-15-19/h3-10,13,15-16H,2,11-12,14,17H2,1H3,(H,26,29)
InChIKeyAZJLBTFIOZIQHC-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.40
Rot. Bonds6

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

N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232941) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232941
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C24H25N3O3S/c1-2-26-23(29)24(14-18-6-3-4-8-21(18)20-9-13-31-16-20)17-27(11-12-30-24)22(28)19-7-5-10-25-15-19/h3-10,13,15-16H,2,11-12,14,17H2,1H3,(H,26,29)
InChIKeyAZJLBTFIOZIQHC-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(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
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232947
(3S)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592104
(3R)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592103
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
(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232941) is N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2cccnc2)CCO1.
What is the InChIKey of N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is AZJLBTFIOZIQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-2-26-23(29)24(14-18-6-3-4-8-21(18)20-9-13-31-16-20)17-27(11-12-30-24)22(28)19-7-5-10-25-15-19/h3-10,13,15-16H,2,11-12,14,17H2,1H3,(H,26,29).
What are the key properties of N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.40, 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-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).