N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide

C14H23N3O3S — CID 79557910

IUPACN-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-5-8-15-12-11(7-6-9-16-12)13(18)17-10-14(2,3)21(4,19)20/h6-7,9H,5,8,10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYVKDACMVOLGXQI-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.46
Rot. Bonds7

About N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide

N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 79557910) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID79557910
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-5-8-15-12-11(7-6-9-16-12)13(18)17-10-14(2,3)21(4,19)20/h6-7,9H,5,8,10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYVKDACMVOLGXQI-UHFFFAOYSA-N
XLogP1.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63961871
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide (CID 79557910) is N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is YVKDACMVOLGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-8-15-12-11(7-6-9-16-12)13(18)17-10-14(2,3)21(4,19)20/h6-7,9H,5,8,10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide?
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 79557910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).