3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide

C13H16N4O — CID 25349174

IUPAC3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C13H16N4O/c1-10(2)8-13(18)16-11-4-5-12(14-9-11)17-7-3-6-15-17/h3-7,9-10H,8H2,1-2H3,(H,16,18)
InChIKeyKISBQYGUSHYDDJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide

3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide (PubChem CID 25349174) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
PubChem CID25349174
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C13H16N4O/c1-10(2)8-13(18)16-11-4-5-12(14-9-11)17-7-3-6-15-17/h3-7,9-10H,8H2,1-2H3,(H,16,18)
InChIKeyKISBQYGUSHYDDJ-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 79285864
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 154787168

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide (CID 25349174) is 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide is CC(C)CC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
The InChIKey is KISBQYGUSHYDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(2)8-13(18)16-11-4-5-12(14-9-11)17-7-3-6-15-17/h3-7,9-10H,8H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide?
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide has a molecular weight of 244.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 25349174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).