N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

C16H19N3O2S — CID 86804623

IUPACN-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCOCC3)ccn2)s1
InChIInChI=1S/C16H19N3O2S/c1-12-2-3-14(22-12)11-18-16(20)15-10-13(4-5-17-15)19-6-8-21-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,20)
InChIKeySHTWMDHLVHIYIN-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.22
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 86804623) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID86804623
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCOCC3)ccn2)s1
InChIInChI=1S/C16H19N3O2S/c1-12-2-3-14(22-12)11-18-16(20)15-10-13(4-5-17-15)19-6-8-21-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,20)
InChIKeySHTWMDHLVHIYIN-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 N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 86804623) is N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc(N3CCOCC3)ccn2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is SHTWMDHLVHIYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-2-3-14(22-12)11-18-16(20)15-10-13(4-5-17-15)19-6-8-21-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,20).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-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 N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 86804623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).