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

C14H15N3O2S — CID 18106826

IUPAC5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)nc1
InChIInChI=1S/C14H15N3O2S/c1-9-3-6-12(15-7-9)17-13(18)8-16-14(19)11-5-4-10(2)20-11/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyFTRKRVOHLVJQOV-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.13
Rot. Bonds4

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

5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18106826) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18106826
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)nc1
InChIInChI=1S/C14H15N3O2S/c1-9-3-6-12(15-7-9)17-13(18)8-16-14(19)11-5-4-10(2)20-11/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyFTRKRVOHLVJQOV-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

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CID 1246828
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CID 24686059
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CID 759105
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CID 1449124
CID 1449124
CID 1449519
CID 1449519
CID 1477562
CID 1477562
CID 2544792
CID 2544792
CID 2970481
CID 2970481
CID 2971382
CID 2971382
CID 4789493
CID 4789493
CID 4792409
CID 4792409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 18106826) is 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)nc1.
What is the InChIKey of 5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FTRKRVOHLVJQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-3-6-12(15-7-9)17-13(18)8-16-14(19)11-5-4-10(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-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[(5-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-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18106826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).