2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide

C17H22N4O — CID 122274308

IUPAC2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2ccc(CNC(=O)CC3CCCC3)cn2)cn1
InChIInChI=1S/C17H22N4O/c1-21-12-15(11-20-21)16-7-6-14(9-18-16)10-19-17(22)8-13-4-2-3-5-13/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,19,22)
InChIKeyHLFRHMBWPMQQLA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds5

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

2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 122274308) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
PubChem CID122274308
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCn1cc(-c2ccc(CNC(=O)CC3CCCC3)cn2)cn1
InChIInChI=1S/C17H22N4O/c1-21-12-15(11-20-21)16-7-6-14(9-18-16)10-19-17(22)8-13-4-2-3-5-13/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,19,22)
InChIKeyHLFRHMBWPMQQLA-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.68
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
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
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]oxolane-3-carboxamide
CID 122274513
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]-4-propylbenzamide
CID 119105294
3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274401
3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (CID 122274308) is 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is Cn1cc(-c2ccc(CNC(=O)CC3CCCC3)cn2)cn1.
What is the InChIKey of 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is HLFRHMBWPMQQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-12-15(11-20-21)16-7-6-14(9-18-16)10-19-17(22)8-13-4-2-3-5-13/h6-7,9,11-13H,2-5,8,10H2,1H3,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 122274308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).