N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide

C13H13N3O2S — CID 51266033

IUPACN-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccn1
InChIInChI=1S/C13H13N3O2S/c17-12(16-11-5-1-2-7-14-11)6-8-15-13(18)10-4-3-9-19-10/h1-5,7,9H,6,8H2,(H,15,18)(H,14,16,17)
InChIKeyPHFIRBNBQYSPIS-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.90
Rot. Bonds5

About N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide

N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide (PubChem CID 51266033) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
PubChem CID51266033
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccn1
InChIInChI=1S/C13H13N3O2S/c17-12(16-11-5-1-2-7-14-11)6-8-15-13(18)10-4-3-9-19-10/h1-5,7,9H,6,8H2,(H,15,18)(H,14,16,17)
InChIKeyPHFIRBNBQYSPIS-UHFFFAOYSA-N
XLogP1.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51274545
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132
N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide
CID 167866311
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 46961978
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide (CID 51266033) is N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccccn1.
What is the InChIKey of N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide?
The InChIKey is PHFIRBNBQYSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12(16-11-5-1-2-7-14-11)6-8-15-13(18)10-4-3-9-19-10/h1-5,7,9H,6,8H2,(H,15,18)(H,14,16,17).
What are the key properties of N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide?
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 51266033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).