2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide

C16H22N4O — CID 122274470

IUPAC2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C16H22N4O/c1-4-13(5-2)16(21)18-9-12-6-7-15(17-8-12)14-10-19-20(3)11-14/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyQLLGQHZOCNSUGA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds6

About 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide

2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 122274470) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
PubChem CID122274470
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C16H22N4O/c1-4-13(5-2)16(21)18-9-12-6-7-15(17-8-12)14-10-19-20(3)11-14/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyQLLGQHZOCNSUGA-UHFFFAOYSA-N
XLogP2.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 122274513
3-cyano-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 119105290

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide (CID 122274470) is 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide is CCC(CC)C(=O)NCc1ccc(-c2cnn(C)c2)nc1.
What is the InChIKey of 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is QLLGQHZOCNSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-13(5-2)16(21)18-9-12-6-7-15(17-8-12)14-10-19-20(3)11-14/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide?
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 122274470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).