[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C18H18N6O — CID 95199255

IUPAC[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C18H18N6O/c25-18(24-11-3-5-17(24)16-4-1-2-10-19-16)15-8-6-14(7-9-15)12-23-13-20-21-22-23/h1-2,4,6-10,13,17H,3,5,11-12H2/t17-/m1/s1
InChIKeyYHCGJSANBOCPPU-QGZVFWFLSA-N
MW334.38 g/mol
LogP2.09
Rot. Bonds4

About [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 95199255) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID95199255
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C18H18N6O/c25-18(24-11-3-5-17(24)16-4-1-2-10-19-16)15-8-6-14(7-9-15)12-23-13-20-21-22-23/h1-2,4,6-10,13,17H,3,5,11-12H2/t17-/m1/s1
InChIKeyYHCGJSANBOCPPU-QGZVFWFLSA-N
XLogP2.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 96575341
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26406283
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 131897141
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 155501472
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
[4-(1,3-oxazol-5-yl)phenyl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616600
[2-hydroxy-4-(tetrazol-1-yl)phenyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154888970
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56879395
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 95199255) is [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cnnn2)cc1)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is YHCGJSANBOCPPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(24-11-3-5-17(24)16-4-1-2-10-19-16)15-8-6-14(7-9-15)12-23-13-20-21-22-23/h1-2,4,6-10,13,17H,3,5,11-12H2/t17-/m1/s1.
What are the key properties of [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 334.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 95199255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).