5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide

C21H28N4O3S — CID 95856416

IUPAC5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C21H28N4O3S/c26-20(23-6-3-7-24-8-12-27-13-9-24)19-16-17(18-4-1-2-5-22-18)21(29-19)25-10-14-28-15-11-25/h1-2,4-5,16H,3,6-15H2,(H,23,26)
InChIKeyBCWSBZSNLPUTLZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.10
Rot. Bonds7

About 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide

5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 95856416) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
PubChem CID95856416
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C21H28N4O3S/c26-20(23-6-3-7-24-8-12-27-13-9-24)19-16-17(18-4-1-2-5-22-18)21(29-19)25-10-14-28-15-11-25/h1-2,4-5,16H,3,6-15H2,(H,23,26)
InChIKeyBCWSBZSNLPUTLZ-UHFFFAOYSA-N
XLogP2.10
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20940421
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide (CID 95856416) is 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccccn2)c(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is BCWSBZSNLPUTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c26-20(23-6-3-7-24-8-12-27-13-9-24)19-16-17(18-4-1-2-5-22-18)21(29-19)25-10-14-28-15-11-25/h1-2,4-5,16H,3,6-15H2,(H,23,26).
What are the key properties of 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide?
5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 95856416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).