[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C21H22N4O — CID 110254706

IUPAC[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC2c2cccc(Cc3ccccc3)n2)cn1
InChIInChI=1S/C21H22N4O/c1-24-15-17(14-22-24)21(26)25-12-6-11-20(25)19-10-5-9-18(23-19)13-16-7-3-2-4-8-16/h2-5,7-10,14-15,20H,6,11-13H2,1H3
InChIKeyZQIHDRKXRRMVOA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.38
Rot. Bonds4

About [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110254706) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110254706
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC2c2cccc(Cc3ccccc3)n2)cn1
InChIInChI=1S/C21H22N4O/c1-24-15-17(14-22-24)21(26)25-12-6-11-20(25)19-10-5-9-18(23-19)13-16-7-3-2-4-8-16/h2-5,7-10,14-15,20H,6,11-13H2,1H3
InChIKeyZQIHDRKXRRMVOA-UHFFFAOYSA-N
XLogP3.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95839151
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 110254415
pyridin-4-yl-[2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110254529
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 127244916
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834

Frequently Asked Questions

What is the IUPAC name of [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110254706) is [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC2c2cccc(Cc3ccccc3)n2)cn1.
What is the InChIKey of [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is ZQIHDRKXRRMVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24-15-17(14-22-24)21(26)25-12-6-11-20(25)19-10-5-9-18(23-19)13-16-7-3-2-4-8-16/h2-5,7-10,14-15,20H,6,11-13H2,1H3.
What are the key properties of [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110254706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).