N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide

C15H15N3O2S — CID 43369535

IUPACN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCC(N)=S)cn1
InChIInChI=1S/C15H15N3O2S/c1-10-6-7-11(8-17-10)15(19)18-12-4-2-3-5-13(12)20-9-14(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,18,19)
InChIKeySWBDJTHNTZXQAM-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide

N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 43369535) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
PubChem CID43369535
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCC(N)=S)cn1
InChIInChI=1S/C15H15N3O2S/c1-10-6-7-11(8-17-10)15(19)18-12-4-2-3-5-13(12)20-9-14(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,18,19)
InChIKeySWBDJTHNTZXQAM-UHFFFAOYSA-N
XLogP2.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
CID 43175553
4-(2-amino-2-sulfanylideneethyl)-N-(2-ethoxyphenyl)benzamide
CID 94806353
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
CID 43369499
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide
CID 43508026
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide (CID 43369535) is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2OCC(N)=S)cn1.
What is the InChIKey of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SWBDJTHNTZXQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-6-7-11(8-17-10)15(19)18-12-4-2-3-5-13(12)20-9-14(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,18,19).
What are the key properties of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide?
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 43369535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).