2-amino-5-benzylsulfanylpyridine-4-carboxamide

C13H13N3OS — CID 114195736

IUPAC2-amino-5-benzylsulfanylpyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1SCc1ccccc1
InChIInChI=1S/C13H13N3OS/c14-12-6-10(13(15)17)11(7-16-12)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16)(H2,15,17)
InChIKeyKNACLUPCEQOSAX-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.06
Rot. Bonds4

About 2-amino-5-benzylsulfanylpyridine-4-carboxamide

2-amino-5-benzylsulfanylpyridine-4-carboxamide (PubChem CID 114195736) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-5-benzylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzylsulfanylpyridine-4-carboxamide
PubChem CID114195736
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-amino-5-benzylsulfanylpyridine-4-carboxamide
SMILESNC(=O)c1cc(N)ncc1SCc1ccccc1
InChIInChI=1S/C13H13N3OS/c14-12-6-10(13(15)17)11(7-16-12)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16)(H2,15,17)
InChIKeyKNACLUPCEQOSAX-UHFFFAOYSA-N
XLogP2.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-benzylsulfanylbenzamide
CID 113333393
4-amino-3-benzylsulfanylbenzamide
CID 55189643
2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide
CID 114195744
2-amino-5-[(2-bromophenyl)methylamino]pyridine-4-carboxamide
CID 114194887
(3-amino-4-benzylsulfanylphenyl)methanol
CID 178200294
1-(2-benzylsulfanylphenyl)propan-1-one
CID 112677640
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
N-(3-amino-3-oxopropyl)-2-benzylsulfanylbenzamide
CID 46897925
methyl 3-amino-4-benzylsulfanylbenzoate
CID 61312286
5-amino-6-benzylsulfanylpyridine-2-carboxamide
CID 114409310
2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzylsulfanylpyridine-4-carboxamide?
The IUPAC name of 2-amino-5-benzylsulfanylpyridine-4-carboxamide (CID 114195736) is 2-amino-5-benzylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-benzylsulfanylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-benzylsulfanylpyridine-4-carboxamide is NC(=O)c1cc(N)ncc1SCc1ccccc1.
What is the InChIKey of 2-amino-5-benzylsulfanylpyridine-4-carboxamide?
The InChIKey is KNACLUPCEQOSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-12-6-10(13(15)17)11(7-16-12)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,16)(H2,15,17).
What are the key properties of 2-amino-5-benzylsulfanylpyridine-4-carboxamide?
2-amino-5-benzylsulfanylpyridine-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 114195736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).