5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C20H20N4O2S — CID 117084261

IUPAC5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C20H20N4O2S/c25-20(23-13-15-2-1-7-21-12-15)18-5-4-17(27-18)16-3-6-19(22-14-16)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25)
InChIKeyIWLYDBPPXNQGNB-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.97
Rot. Bonds5

About 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 117084261) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID117084261
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C20H20N4O2S/c25-20(23-13-15-2-1-7-21-12-15)18-5-4-17(27-18)16-3-6-19(22-14-16)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25)
InChIKeyIWLYDBPPXNQGNB-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 117088244
5-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 117093443
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 46580563
6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24672676
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650

Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 117084261) is 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1.
What is the InChIKey of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is IWLYDBPPXNQGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-20(23-13-15-2-1-7-21-12-15)18-5-4-17(27-18)16-3-6-19(22-14-16)24-8-10-26-11-9-24/h1-7,12,14H,8-11,13H2,(H,23,25).
What are the key properties of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 117084261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).