2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide

C14H18N6O2S — CID 47022378

IUPAC2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H18N6O2S/c1-23-8-5-11(19-14(15)22)13(21)18-10-3-4-12(16-9-10)20-7-2-6-17-20/h2-4,6-7,9,11H,5,8H2,1H3,(H,18,21)(H3,15,19,22)
InChIKeyZAZDLODPRZABBG-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.00
Rot. Bonds7

About 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide

2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide (PubChem CID 47022378) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
PubChem CID47022378
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H18N6O2S/c1-23-8-5-11(19-14(15)22)13(21)18-10-3-4-12(16-9-10)20-7-2-6-17-20/h2-4,6-7,9,11H,5,8H2,1H3,(H,18,21)(H3,15,19,22)
InChIKeyZAZDLODPRZABBG-UHFFFAOYSA-N
XLogP1.00
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide (CID 47022378) is 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide is CSCCC(NC(N)=O)C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is ZAZDLODPRZABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-23-8-5-11(19-14(15)22)13(21)18-10-3-4-12(16-9-10)20-7-2-6-17-20/h2-4,6-7,9,11H,5,8H2,1H3,(H,18,21)(H3,15,19,22).
What are the key properties of 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 334.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 47022378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).