N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C9H11N3O2S — CID 88873602

IUPACN-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C9H11N3O2S/c10-7(13)3-5-11-8(14)6-2-1-4-12-9(6)15/h1-2,4H,3,5H2,(H2,10,13)(H,11,14)(H,12,15)
InChIKeyVGFUTTBXCJIOLG-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.35
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 88873602) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID88873602
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC NameN-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)CCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C9H11N3O2S/c10-7(13)3-5-11-8(14)6-2-1-4-12-9(6)15/h1-2,4H,3,5H2,(H2,10,13)(H,11,14)(H,12,15)
InChIKeyVGFUTTBXCJIOLG-UHFFFAOYSA-N
XLogP0.35
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-hexyl-2-sulfanyl-pyridine-3-carboxamide
CID 3002822
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
N-pentyl-2-sulfanylpyridine-3-carboxamide
CID 4117618
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
2-Mercaptonicotinoyl-Glycine
CID 129245196
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-3-sulfanylpropanamide
CID 177680873
2-Mercaptonicotinamide
CID 4143093
[3-[(3-Amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite
CID 145023162
3-Thionicotinyl-urea
CID 91623248

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 88873602) is N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is NC(=O)CCNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is VGFUTTBXCJIOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c10-7(13)3-5-11-8(14)6-2-1-4-12-9(6)15/h1-2,4H,3,5H2,(H2,10,13)(H,11,14)(H,12,15).
What are the key properties of N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 88873602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).