(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

C19H17N5O — CID 2552175

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H17N5O/c25-19(17-7-4-8-18(13-17)24-14-20-21-22-24)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-9,13-14H,10-12H2
InChIKeyJUNBANHCDAOLNK-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.59
Rot. Bonds3

About (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 2552175) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID2552175
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H17N5O/c25-19(17-7-4-8-18(13-17)24-14-20-21-22-24)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-9,13-14H,10-12H2
InChIKeyJUNBANHCDAOLNK-UHFFFAOYSA-N
XLogP2.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 862152
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CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N'-benzoyl-3-(1H-tetraazol-1-yl)benzohydrazide
CID 866071
4-tert-butyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7708843
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
N-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-methyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 70683090
1-(4-Benzoyl-2-methyl-piperazin-1-yl)-2-(4-[1,2,4]triazol-1-yl-phenyl)-ethane-1,2-dione
CID 24994153
1-[4-[2-(4-Nitrophenyl)ethyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 57331240
3-[2-[4-[2-[4-(Tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 57331268
4-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
CID 67518221

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 2552175) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is JUNBANHCDAOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(17-7-4-8-18(13-17)24-14-20-21-22-24)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-9,13-14H,10-12H2.
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 331.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 2552175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).