5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C14H15N3O2S — CID 18107039

IUPAC5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ncccc2C)s1
InChIInChI=1S/C14H15N3O2S/c1-9-4-3-7-15-13(9)17-12(18)8-16-14(19)11-6-5-10(2)20-11/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyREBYLOXZFBMMAW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.13
Rot. Bonds4

About 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18107039) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18107039
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ncccc2C)s1
InChIInChI=1S/C14H15N3O2S/c1-9-4-3-7-15-13(9)17-12(18)8-16-14(19)11-6-5-10(2)20-11/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyREBYLOXZFBMMAW-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-pyridin-2-ylthiophene-2-carboxamide
CID 1243996
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
Thiophene-2-carboxylic acid [5-(2,2-dimethyl-propionylamino)-4-methyl-pyridin-2-yl]-amide
CID 1449124
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
(2E)-2-cyano-N-pyridin-2-yl-3-(2-thienyl)acrylamide
CID 2544792
6-methyl-N-2-pyridinyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970481
5-methyl-N-(5-nitropyridin-2-yl)thiophene-3-carboxamide
CID 2971382
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
5-fluoro-N-(4-methylpyridin-2-yl)-1-benzothiophene-2-carboxamide
CID 4792409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 18107039) is 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ncccc2C)s1.
What is the InChIKey of 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is REBYLOXZFBMMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-4-3-7-15-13(9)17-12(18)8-16-14(19)11-6-5-10(2)20-11/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18).
What are the key properties of 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18107039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).