1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide

C17H18N4O2S — CID 141129452

IUPAC1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)C1=Cc2ncccc2N(CCCNC(=O)c2cccs2)C1
InChIInChI=1S/C17H18N4O2S/c18-16(22)12-10-13-14(4-1-6-19-13)21(11-12)8-3-7-20-17(23)15-5-2-9-24-15/h1-2,4-6,9-10H,3,7-8,11H2,(H2,18,22)(H,20,23)
InChIKeyLDCGTCZZKSFAKR-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.65
Rot. Bonds6

About 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide

1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide (PubChem CID 141129452) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide
PubChem CID141129452
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide
SMILESNC(=O)C1=Cc2ncccc2N(CCCNC(=O)c2cccs2)C1
InChIInChI=1S/C17H18N4O2S/c18-16(22)12-10-13-14(4-1-6-19-13)21(11-12)8-3-7-20-17(23)15-5-2-9-24-15/h1-2,4-6,9-10H,3,7-8,11H2,(H2,18,22)(H,20,23)
InChIKeyLDCGTCZZKSFAKR-UHFFFAOYSA-N
XLogP1.65
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyridin-2-yloxypropyl)thiophene-2-carboxamide
CID 19079216
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 53145071
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide (CID 141129452) is 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide is NC(=O)C1=Cc2ncccc2N(CCCNC(=O)c2cccs2)C1.
What is the InChIKey of 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide?
The InChIKey is LDCGTCZZKSFAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-16(22)12-10-13-14(4-1-6-19-13)21(11-12)8-3-7-20-17(23)15-5-2-9-24-15/h1-2,4-6,9-10H,3,7-8,11H2,(H2,18,22)(H,20,23).
What are the key properties of 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide?
1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiophene-2-carbonylamino)propyl]-2H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 141129452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).