2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid

C14H15N3O3S — CID 115284521

IUPAC2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cc(C)c(C(N)=O)c(NC(C(=O)O)c2cccs2)n1
InChIInChI=1S/C14H15N3O3S/c1-7-6-8(2)16-13(10(7)12(15)18)17-11(14(19)20)9-4-3-5-21-9/h3-6,11H,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyHXXRPNTZNGZCMW-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.10
Rot. Bonds5

About 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid

2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115284521) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115284521
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1cc(C)c(C(N)=O)c(NC(C(=O)O)c2cccs2)n1
InChIInChI=1S/C14H15N3O3S/c1-7-6-8(2)16-13(10(7)12(15)18)17-11(14(19)20)9-4-3-5-21-9/h3-6,11H,1-2H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyHXXRPNTZNGZCMW-UHFFFAOYSA-N
XLogP2.10
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584
4,6-dimethyl-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]pyridine-3-carboxamide
CID 17445790
2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
CID 115284419
2-[(2-methylquinolin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284526
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]pentanoic acid
CID 43631332
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-3-methoxypropanoic acid
CID 81078416
2-(1-aminopropan-2-ylamino)-4,6-dimethylpyridine-3-carboxamide
CID 63731943
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 103554673
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
4,6-dimethyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80522433

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid (CID 115284521) is 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid is Cc1cc(C)c(C(N)=O)c(NC(C(=O)O)c2cccs2)n1.
What is the InChIKey of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is HXXRPNTZNGZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-6-8(2)16-13(10(7)12(15)18)17-11(14(19)20)9-4-3-5-21-9/h3-6,11H,1-2H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).