N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide

C17H20N4O2S — CID 47037132

IUPACN-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C17H20N4O2S/c22-15(7-9-19-17(23)14-6-4-12-24-14)20-13-5-3-8-18-16(13)21-10-1-2-11-21/h3-6,8,12H,1-2,7,9-11H2,(H,19,23)(H,20,22)
InChIKeyAACPVNWVMYQCLG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.50
Rot. Bonds6

About N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide (PubChem CID 47037132) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
PubChem CID47037132
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C17H20N4O2S/c22-15(7-9-19-17(23)14-6-4-12-24-14)20-13-5-3-8-18-16(13)21-10-1-2-11-21/h3-6,8,12H,1-2,7,9-11H2,(H,19,23)(H,20,22)
InChIKeyAACPVNWVMYQCLG-UHFFFAOYSA-N
XLogP2.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
CID 30885035
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
N-(2-piperidin-1-yl-3-pyridinyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55978291
N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 42099787
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-oxo-3-[2-(2-phenylethoxy)anilino]propyl]thiophene-2-carboxamide
CID 55675242
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide (CID 47037132) is N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1cccnc1N1CCCC1.
What is the InChIKey of N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is AACPVNWVMYQCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-15(7-9-19-17(23)14-6-4-12-24-14)20-13-5-3-8-18-16(13)21-10-1-2-11-21/h3-6,8,12H,1-2,7,9-11H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 47037132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).