N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide

C12H19N3OS — CID 63961240

IUPACN-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCSC
InChIInChI=1S/C12H19N3OS/c1-3-6-13-11-10(5-4-7-14-11)12(16)15-8-9-17-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVHAVAGYVXYUKEA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.00
Rot. Bonds7

About N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide

N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 63961240) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID63961240
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCSC
InChIInChI=1S/C12H19N3OS/c1-3-6-13-11-10(5-4-7-14-11)12(16)15-8-9-17-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyVHAVAGYVXYUKEA-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.00
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

N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 58451928
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 80691532
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide (CID 63961240) is N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is VHAVAGYVXYUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-6-13-11-10(5-4-7-14-11)12(16)15-8-9-17-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide?
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63961240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).