2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide

C17H21N3O2S — CID 37274285

IUPAC2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)s1
InChIInChI=1S/C17H21N3O2S/c1-12-9-15(13(2)23-12)17(21)19-11-14-3-4-16(18-10-14)20-5-7-22-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,21)
InChIKeyQTUMMNAINWTXTL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.53
Rot. Bonds4

About 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide

2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 37274285) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID37274285
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)s1
InChIInChI=1S/C17H21N3O2S/c1-12-9-15(13(2)23-12)17(21)19-11-14-3-4-16(18-10-14)20-5-7-22-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,21)
InChIKeyQTUMMNAINWTXTL-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
6-(2,5-dimethylthiophen-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24608998
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 17424117
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 43038503
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide (CID 37274285) is 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide is Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is QTUMMNAINWTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-9-15(13(2)23-12)17(21)19-11-14-3-4-16(18-10-14)20-5-7-22-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide?
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 37274285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).