2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide

C24H33N5O2 — CID 92590234

IUPAC2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)n1
InChIInChI=1S/C24H33N5O2/c1-2-29-15-12-21(27-29)24(31)28-14-7-10-19(17-28)23(20-11-5-6-13-25-20)26-22(30)16-18-8-3-4-9-18/h5-6,11-13,15,18-19,23H,2-4,7-10,14,16-17H2,1H3,(H,26,30)/t19-,23-/m1/s1
InChIKeyAVXSQALSNFANDM-AUSIDOKSSA-N
MW423.56 g/mol
LogP3.59
Rot. Bonds7

About 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide

2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92590234) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92590234
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)n1
InChIInChI=1S/C24H33N5O2/c1-2-29-15-12-21(27-29)24(31)28-14-7-10-19(17-28)23(20-11-5-6-13-25-20)26-22(30)16-18-8-3-4-9-18/h5-6,11-13,15,18-19,23H,2-4,7-10,14,16-17H2,1H3,(H,26,30)/t19-,23-/m1/s1
InChIKeyAVXSQALSNFANDM-AUSIDOKSSA-N
XLogP3.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide (CID 92590234) is 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide is CCn1ccc(C(=O)N2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)n1.
What is the InChIKey of 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is AVXSQALSNFANDM-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-2-29-15-12-21(27-29)24(31)28-14-7-10-19(17-28)23(20-11-5-6-13-25-20)26-22(30)16-18-8-3-4-9-18/h5-6,11-13,15,18-19,23H,2-4,7-10,14,16-17H2,1H3,(H,26,30)/t19-,23-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92590234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).