N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C14H15N3O3S — CID 51102871

IUPACN-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccnc1NC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H15N3O3S/c1-17(14(19)11-6-4-8-21-11)9-12(18)16-13-10(20-2)5-3-7-15-13/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyNQJWFDYOVOPPPS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 51102871) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID51102871
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccnc1NC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H15N3O3S/c1-17(14(19)11-6-4-8-21-11)9-12(18)16-13-10(20-2)5-3-7-15-13/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyNQJWFDYOVOPPPS-UHFFFAOYSA-N
XLogP1.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 51102871) is N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is COc1cccnc1NC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NQJWFDYOVOPPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(14(19)11-6-4-8-21-11)9-12(18)16-13-10(20-2)5-3-7-15-13/h3-8H,9H2,1-2H3,(H,15,16,18).
What are the key properties of N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 51102871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).