5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C16H19N3O2S — CID 25311898

IUPAC5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2N2CCOCC2)s1
InChIInChI=1S/C16H19N3O2S/c1-12-4-5-14(22-12)16(20)18-11-13-3-2-6-17-15(13)19-7-9-21-10-8-19/h2-6H,7-11H2,1H3,(H,18,20)
InChIKeyWVHAHIDZEBBJMD-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.22
Rot. Bonds4

About 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 25311898) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID25311898
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2N2CCOCC2)s1
InChIInChI=1S/C16H19N3O2S/c1-12-4-5-14(22-12)16(20)18-11-13-3-2-6-17-15(13)19-7-9-21-10-8-19/h2-6H,7-11H2,1H3,(H,18,20)
InChIKeyWVHAHIDZEBBJMD-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 25311898) is 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)s1.
What is the InChIKey of 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is WVHAHIDZEBBJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-4-5-14(22-12)16(20)18-11-13-3-2-6-17-15(13)19-7-9-21-10-8-19/h2-6H,7-11H2,1H3,(H,18,20).
What are the key properties of 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25311898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).