N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide

C13H19N3O3S — CID 114598970

IUPACN-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
SMILESCS(=O)(=O)c1cccnc1NCCCC(=O)NC1CC1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)11-4-2-8-14-13(11)15-9-3-5-12(17)16-10-6-7-10/h2,4,8,10H,3,5-7,9H2,1H3,(H,14,15)(H,16,17)
InChIKeyZDECKXIATSTELR-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.96
Rot. Bonds7

About N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide

N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide (PubChem CID 114598970) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
PubChem CID114598970
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
SMILESCS(=O)(=O)c1cccnc1NCCCC(=O)NC1CC1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)11-4-2-8-14-13(11)15-9-3-5-12(17)16-10-6-7-10/h2,4,8,10H,3,5-7,9H2,1H3,(H,14,15)(H,16,17)
InChIKeyZDECKXIATSTELR-UHFFFAOYSA-N
XLogP0.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
CID 112730869
N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
3-[(2-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 113220281
4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 107058013
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 79400978
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide (CID 114598970) is N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide is CS(=O)(=O)c1cccnc1NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide?
The InChIKey is ZDECKXIATSTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)11-4-2-8-14-13(11)15-9-3-5-12(17)16-10-6-7-10/h2,4,8,10H,3,5-7,9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide?
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide has a molecular weight of 297.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 114598970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).