4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide

C17H21N3O2S — CID 99630321

IUPAC4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(N2CCOCC2)ccn1)c1cccs1
InChIInChI=1S/C17H21N3O2S/c1-13(16-3-2-10-23-16)12-19-17(21)15-11-14(4-5-18-15)20-6-8-22-9-7-20/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyVOMHIDRDJKAEQZ-ZDUSSCGKSA-N
MW331.44 g/mol
LogP2.51
Rot. Bonds5

About 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide

4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide (PubChem CID 99630321) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide
PubChem CID99630321
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(N2CCOCC2)ccn1)c1cccs1
InChIInChI=1S/C17H21N3O2S/c1-13(16-3-2-10-23-16)12-19-17(21)15-11-14(4-5-18-15)20-6-8-22-9-7-20/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyVOMHIDRDJKAEQZ-ZDUSSCGKSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804622
N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804623
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804680
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99634295
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387
N-[2-(6-methyl-3-pyridinyl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650790
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 126771688
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672
2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75504546

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide (CID 99630321) is 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide is C[C@@H](CNC(=O)c1cc(N2CCOCC2)ccn1)c1cccs1.
What is the InChIKey of 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide?
The InChIKey is VOMHIDRDJKAEQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(16-3-2-10-23-16)12-19-17(21)15-11-14(4-5-18-15)20-6-8-22-9-7-20/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide?
4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 99630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).