N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide

C18H23N3O2S — CID 47017538

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(N2CCOCC2)nc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-13(2)17(15-4-3-11-24-15)20-18(22)14-5-6-16(19-12-14)21-7-9-23-10-8-21/h3-6,11-13,17H,7-10H2,1-2H3,(H,20,22)
InChIKeyQMIQYFNXLSSJOR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.11
Rot. Bonds5

About N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 47017538) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID47017538
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(N2CCOCC2)nc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-13(2)17(15-4-3-11-24-15)20-18(22)14-5-6-16(19-12-14)21-7-9-23-10-8-21/h3-6,11-13,17H,7-10H2,1-2H3,(H,20,22)
InChIKeyQMIQYFNXLSSJOR-UHFFFAOYSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-N-Methyl-2-[4-(Morpholin-4-Yl)phenyl]thieno[3,2-C]pyridine-7-Carboxamide
CID 53497571
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719606
2-(Cyclopentylamino)-3-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-4-one
CID 118720007
N-(2-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 2811167
N-(6-morpholino-3-pyridinyl)-2-thiophenecarboxamide
CID 3776044
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 24818196
N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 11373909
N-methyl-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980108
N-(3-aminopropyl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980231
4-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 646387

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 47017538) is N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide is CC(C)C(NC(=O)c1ccc(N2CCOCC2)nc1)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is QMIQYFNXLSSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(2)17(15-4-3-11-24-15)20-18(22)14-5-6-16(19-12-14)21-7-9-23-10-8-21/h3-6,11-13,17H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 47017538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).