N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide

C12H14FN3OS — CID 104785864

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide
SMILESNC(=S)CCN(C(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C12H14FN3OS/c13-9-5-8(6-15-7-9)12(17)16(10-1-2-10)4-3-11(14)18/h5-7,10H,1-4H2,(H2,14,18)
InChIKeyJWXBZFFKLUHSCY-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.50
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide (PubChem CID 104785864) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide
PubChem CID104785864
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide
SMILESNC(=S)CCN(C(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C12H14FN3OS/c13-9-5-8(6-15-7-9)12(17)16(10-1-2-10)4-3-11(14)18/h5-7,10H,1-4H2,(H2,14,18)
InChIKeyJWXBZFFKLUHSCY-UHFFFAOYSA-N
XLogP1.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,4,6-trifluorobenzamide
CID 65099020
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104786244
N-(3-amino-3-sulfanylidenepropyl)-3,5-dichloro-N-cyclopropylbenzamide
CID 54996849
N-(3-amino-3-sulfanylidenepropyl)-5-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 104785884
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 64949112
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 128964575
N-(3-amino-3-sulfanylidenepropyl)-4-chloro-N-cyclopropyl-2,5-difluorobenzamide
CID 82771439
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-3-chloro-N-cyclopropylbenzamide
CID 81294852
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropyl-4-methylbenzamide
CID 81472167
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentyl-4-methylbenzamide
CID 82103884
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-4-methylbenzamide
CID 82103913

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide (CID 104785864) is N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide is NC(=S)CCN(C(=O)c1cncc(F)c1)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide?
The InChIKey is JWXBZFFKLUHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c13-9-5-8(6-15-7-9)12(17)16(10-1-2-10)4-3-11(14)18/h5-7,10H,1-4H2,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104785864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).