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

C13H13N3O2S — CID 18107042

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S/c1-9-4-2-6-14-12(9)16-11(17)8-15-13(18)10-5-3-7-19-10/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyGSCRKFDZHJICCI-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.82
Rot. Bonds4

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

N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18107042) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18107042
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S/c1-9-4-2-6-14-12(9)16-11(17)8-15-13(18)10-5-3-7-19-10/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyGSCRKFDZHJICCI-UHFFFAOYSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 18107042) is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1cccnc1NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GSCRKFDZHJICCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-4-2-6-14-12(9)16-11(17)8-15-13(18)10-5-3-7-19-10/h2-7H,8H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18107042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).