2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide

C15H17N3O2S — CID 119138064

IUPAC2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide
SMILESCC(CNC(=O)c1ccc(C(N)=O)cn1)Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c1-10(7-12-3-2-6-21-12)8-18-15(20)13-5-4-11(9-17-13)14(16)19/h2-6,9-10H,7-8H2,1H3,(H2,16,19)(H,18,20)
InChIKeySNXWZAYNNFMURQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.85
Rot. Bonds6

About 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide

2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide (PubChem CID 119138064) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide
PubChem CID119138064
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide
SMILESCC(CNC(=O)c1ccc(C(N)=O)cn1)Cc1cccs1
InChIInChI=1S/C15H17N3O2S/c1-10(7-12-3-2-6-21-12)8-18-15(20)13-5-4-11(9-17-13)14(16)19/h2-6,9-10H,7-8H2,1H3,(H2,16,19)(H,18,20)
InChIKeySNXWZAYNNFMURQ-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
CID 119335347
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636
2-[[(5-carbamoylpyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253750
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
2-N-(2-amino-2-methylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 119627358
5-(N'-hydroxycarbamimidoyl)-N-(3-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 76951835
5-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641309
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115116726
N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111673576
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507839
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119804174

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide (CID 119138064) is 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide is CC(CNC(=O)c1ccc(C(N)=O)cn1)Cc1cccs1.
What is the InChIKey of 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide?
The InChIKey is SNXWZAYNNFMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(7-12-3-2-6-21-12)8-18-15(20)13-5-4-11(9-17-13)14(16)19/h2-6,9-10H,7-8H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide?
2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 119138064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).