N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide

C11H15N3O2S — CID 114039702

IUPACN-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCN(CCC(N)=S)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H15N3O2S/c1-13-5-3-8(7-10(13)15)11(16)14(2)6-4-9(12)17/h3,5,7H,4,6H2,1-2H3,(H2,12,17)
InChIKeyHROIQEUFPYYPNO-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.13
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 114039702) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID114039702
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
SMILESCN(CCC(N)=S)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C11H15N3O2S/c1-13-5-3-8(7-10(13)15)11(16)14(2)6-4-9(12)17/h3,5,7H,4,6H2,1-2H3,(H2,12,17)
InChIKeyHROIQEUFPYYPNO-UHFFFAOYSA-N
XLogP0.13
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-(3-amino-3-sulfanylidenepropyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63186023
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
CID 80581020
2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
CID 63651571
N-(3-amino-3-sulfanylidenepropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79694120
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 43290807
N-(3-amino-3-sulfanylidenepropyl)-2,4-dihydroxy-N-methylbenzamide
CID 107722045
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-methylbenzamide
CID 43805487
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide (CID 114039702) is N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide is CN(CCC(N)=S)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is HROIQEUFPYYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-13-5-3-8(7-10(13)15)11(16)14(2)6-4-9(12)17/h3,5,7H,4,6H2,1-2H3,(H2,12,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 114039702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).