2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

C19H18N8O — CID 55616156

IUPAC2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1-n1cnnn1
InChIInChI=1S/C19H18N8O/c1-14-11-15(4-5-17(14)27-13-22-23-24-27)19(28)26-9-7-25(8-10-26)18-16(12-20)3-2-6-21-18/h2-6,11,13H,7-10H2,1H3
InChIKeyICKZSIKUXXUFJP-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.20
Rot. Bonds3

About 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 55616156) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID55616156
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1-n1cnnn1
InChIInChI=1S/C19H18N8O/c1-14-11-15(4-5-17(14)27-13-22-23-24-27)19(28)26-9-7-25(8-10-26)18-16(12-20)3-2-6-21-18/h2-6,11,13H,7-10H2,1H3
InChIKeyICKZSIKUXXUFJP-UHFFFAOYSA-N
XLogP1.20
TPSA103.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-amino-1-pyridin-2-yl-1H-[1,2,4]triazol-3-ylamino)-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 56593682
2-(((3R,6R)-1-(2-(2H-1,2,3-triazol-2-yl)benzoyl)-6-methylpiperidin-3-yl)amino)isonicotinonitrile
CID 76072813
4-[8-(4-Methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl]benzonitrile
CID 44404229
3-[4-[[(6-Pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidine-1-carbonyl]benzonitrile
CID 10525031
3-{2-[(2-cyanophenyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-ethylbenzamide
CID 53232420
(2S,4R)-1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-N-ethyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132006958
2-{4-[4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzoyl]-1-piperazinyl}pyrimidine
CID 1034356
[4-(1H-pyrazol-1-yl)phenyl]{4-[3-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2813860
N-(2,6-dimethylphenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 3358011
[4-(3,5-Dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 8934323
1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 16193849
2-[4-(3-Pyrrol-1-ylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 38094738

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 55616156) is 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1-n1cnnn1.
What is the InChIKey of 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ICKZSIKUXXUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-14-11-15(4-5-17(14)27-13-22-23-24-27)19(28)26-9-7-25(8-10-26)18-16(12-20)3-2-6-21-18/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 374.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55616156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).