methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate

C16H17N3O3S — CID 45251024

IUPACmethyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2ccc(C3CCCN3)s2)c1
InChIInChI=1S/C16H17N3O3S/c1-22-16(21)10-6-8-18-14(9-10)19-15(20)13-5-4-12(23-13)11-3-2-7-17-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,19,20)
InChIKeyQPAOXXGFDHDOBF-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate

methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 45251024) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
PubChem CID45251024
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Namemethyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2ccc(C3CCCN3)s2)c1
InChIInChI=1S/C16H17N3O3S/c1-22-16(21)10-6-8-18-14(9-10)19-15(20)13-5-4-12(23-13)11-3-2-7-17-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,19,20)
InChIKeyQPAOXXGFDHDOBF-UHFFFAOYSA-N
XLogP2.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 31017599
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31223583
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45189077
N-(6-oxo-1H-pyridin-3-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166305537
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 31044771
N-(4-methyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate (CID 45251024) is methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)c2ccc(C3CCCN3)s2)c1.
What is the InChIKey of methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is QPAOXXGFDHDOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-22-16(21)10-6-8-18-14(9-10)19-15(20)13-5-4-12(23-13)11-3-2-7-17-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,19,20).
What are the key properties of methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate?
methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 331.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-pyrrolidin-2-ylthiophene-2-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 45251024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).