N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide

C13H21N3OS — CID 105070236

IUPACN-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCCSC
InChIInChI=1S/C13H21N3OS/c1-3-6-15-12-10-14-8-5-11(12)13(17)16-7-4-9-18-2/h5,8,10,15H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyXXVZIJBJSBHGHJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.39
Rot. Bonds8

About N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide

N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105070236) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105070236
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCCSC
InChIInChI=1S/C13H21N3OS/c1-3-6-15-12-10-14-8-5-11(12)13(17)16-7-4-9-18-2/h5,8,10,15H,3-4,6-7,9H2,1-2H3,(H,16,17)
InChIKeyXXVZIJBJSBHGHJ-UHFFFAOYSA-N
XLogP2.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.39
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

3-hydrazinyl-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105072201
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
CID 63962306
3-(propylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 105069612
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide (CID 105070236) is N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCCCSC.
What is the InChIKey of N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is XXVZIJBJSBHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-6-15-12-10-14-8-5-11(12)13(17)16-7-4-9-18-2/h5,8,10,15H,3-4,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide?
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).