N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide

C17H21N3O2S — CID 75506600

IUPACN-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(C)C)s2)n1
InChIInChI=1S/C17H21N3O2S/c1-11(2)13-8-9-14(23-13)17(22)20(4)10-16(21)19-15-7-5-6-12(3)18-15/h5-9,11H,10H2,1-4H3,(H,18,19,21)
InChIKeyMAJFOMQIIFZHNL-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.29
Rot. Bonds5

About N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide

N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide (PubChem CID 75506600) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide
PubChem CID75506600
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(C)C)s2)n1
InChIInChI=1S/C17H21N3O2S/c1-11(2)13-8-9-14(23-13)17(22)20(4)10-16(21)19-15-7-5-6-12(3)18-15/h5-9,11H,10H2,1-4H3,(H,18,19,21)
InChIKeyMAJFOMQIIFZHNL-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide with MolForge

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Related Compounds

propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 56807220
(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95157777
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 95186985
N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 56803962
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95158936
cis-(1R,2S)-2-(3-fluorophenyl)-N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 95307181
N,6-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-2-carboxamide
CID 32645362
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 99820561
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide (CID 75506600) is N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(C)C)s2)n1.
What is the InChIKey of N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide?
The InChIKey is MAJFOMQIIFZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)13-8-9-14(23-13)17(22)20(4)10-16(21)19-15-7-5-6-12(3)18-15/h5-9,11H,10H2,1-4H3,(H,18,19,21).
What are the key properties of N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide?
N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 75506600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).