N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide

C10H12ClN3OS — CID 66463794

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccncc1Cl)C(N)=S
InChIInChI=1S/C10H12ClN3OS/c1-10(2,9(12)16)14-8(15)6-3-4-13-5-7(6)11/h3-5H,1-2H3,(H2,12,16)(H,14,15)
InChIKeyBLYRYOAPXVRORK-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.53
Rot. Bonds3

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide (PubChem CID 66463794) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
PubChem CID66463794
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccncc1Cl)C(N)=S
InChIInChI=1S/C10H12ClN3OS/c1-10(2,9(12)16)14-8(15)6-3-4-13-5-7(6)11/h3-5H,1-2H3,(H2,12,16)(H,14,15)
InChIKeyBLYRYOAPXVRORK-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 114314442
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-chloro-2-methylbenzamide
CID 82883904
3-chloropyridine-4-carbothioamide
CID 82668449
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide (CID 66463794) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide is CC(C)(NC(=O)c1ccncc1Cl)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is BLYRYOAPXVRORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-10(2,9(12)16)14-8(15)6-3-4-13-5-7(6)11/h3-5H,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 257.75 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66463794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).