6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide

C14H15N3OS — CID 112722874

IUPAC6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCCSc2ccccc2)nc1
InChIInChI=1S/C14H15N3OS/c15-14(18)11-6-7-13(17-10-11)16-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,15,18)(H,16,17)
InChIKeyKQUCUAJGQZJNED-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.38
Rot. Bonds6

About 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide

6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide (PubChem CID 112722874) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide
PubChem CID112722874
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCCSc2ccccc2)nc1
InChIInChI=1S/C14H15N3OS/c15-14(18)11-6-7-13(17-10-11)16-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,15,18)(H,16,17)
InChIKeyKQUCUAJGQZJNED-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
CID 2174445
2-[(5-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110982
6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 61319605
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819
2-N-(2-phenylsulfanylethyl)pyrazine-2,6-diamine
CID 78989045
2-(2-phenylsulfanylethylamino)ethylurea
CID 83113958
2-[amino-[6-(benzylamino)-3-pyridinyl]methylidene]propanedioic acid
CID 70030493

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide (CID 112722874) is 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide is NC(=O)c1ccc(NCCSc2ccccc2)nc1.
What is the InChIKey of 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide?
The InChIKey is KQUCUAJGQZJNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-14(18)11-6-7-13(17-10-11)16-8-9-19-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,15,18)(H,16,17).
What are the key properties of 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide?
6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 112722874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).