N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide

C20H25N3O2S — CID 60611860

IUPACN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC(C)O1
InChIInChI=1S/C20H25N3O2S/c1-14-11-23(12-15(2)25-14)20(24)21-17-3-5-18(6-4-17)22-9-7-19-16(13-22)8-10-26-19/h3-6,8,10,14-15H,7,9,11-13H2,1-2H3,(H,21,24)
InChIKeyOTIDFUPGTPWNFD-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.95
Rot. Bonds2

About N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide

N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 60611860) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID60611860
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC(C)O1
InChIInChI=1S/C20H25N3O2S/c1-14-11-23(12-15(2)25-14)20(24)21-17-3-5-18(6-4-17)22-9-7-19-16(13-22)8-10-26-19/h3-6,8,10,14-15H,7,9,11-13H2,1-2H3,(H,21,24)
InChIKeyOTIDFUPGTPWNFD-UHFFFAOYSA-N
XLogP3.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carboxamide
CID 95302613
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60611908
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108504026
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide
CID 51129821
3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
CID 167761494
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121154515
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 86875039
ethyl N-[3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)anilino]-3-oxopropyl]carbamate
CID 51129942

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 60611860) is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is OTIDFUPGTPWNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-11-23(12-15(2)25-14)20(24)21-17-3-5-18(6-4-17)22-9-7-19-16(13-22)8-10-26-19/h3-6,8,10,14-15H,7,9,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 60611860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).