4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide

C11H13N3OS — CID 104880103

IUPAC4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide
SMILESC#CCSCCNc1ccnc(C(N)=O)c1
InChIInChI=1S/C11H13N3OS/c1-2-6-16-7-5-13-9-3-4-14-10(8-9)11(12)15/h1,3-4,8H,5-7H2,(H2,12,15)(H,13,14)
InChIKeyYMKKIXFYCCWOMF-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.96
Rot. Bonds6

About 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide

4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide (PubChem CID 104880103) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide
PubChem CID104880103
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide
SMILESC#CCSCCNc1ccnc(C(N)=O)c1
InChIInChI=1S/C11H13N3OS/c1-2-6-16-7-5-13-9-3-4-14-10(8-9)11(12)15/h1,3-4,8H,5-7H2,(H2,12,15)(H,13,14)
InChIKeyYMKKIXFYCCWOMF-UHFFFAOYSA-N
XLogP0.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-prop-2-ynylsulfanylethyl)pyridin-4-amine
CID 103757069
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
CID 63965708
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
4-(2,2-diphenylethylamino)pyridine-2-carboxamide
CID 133313862

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide?
The IUPAC name of 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide (CID 104880103) is 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide is C#CCSCCNc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide?
The InChIKey is YMKKIXFYCCWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-6-16-7-5-13-9-3-4-14-10(8-9)11(12)15/h1,3-4,8H,5-7H2,(H2,12,15)(H,13,14).
What are the key properties of 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide?
4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-ynylsulfanylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104880103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).