N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide

C21H23N7O2 — CID 55896049

IUPACN-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C21H23N7O2/c1-15-4-2-10-22-20(15)24-21(30)17-5-3-11-27(13-17)19(29)12-16-6-8-18(9-7-16)28-14-23-25-26-28/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H,22,24,30)
InChIKeyWFKSWWZOWBMJOO-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.79
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide (PubChem CID 55896049) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
PubChem CID55896049
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C21H23N7O2/c1-15-4-2-10-22-20(15)24-21(30)17-5-3-11-27(13-17)19(29)12-16-6-8-18(9-7-16)28-14-23-25-26-28/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H,22,24,30)
InChIKeyWFKSWWZOWBMJOO-UHFFFAOYSA-N
XLogP1.79
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-3-yl]methanesulfonamide
CID 55679023
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3S)-N-(2-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 1456951
1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957937
1-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896427

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide (CID 55896049) is N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide?
The InChIKey is WFKSWWZOWBMJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-15-4-2-10-22-20(15)24-21(30)17-5-3-11-27(13-17)19(29)12-16-6-8-18(9-7-16)28-14-23-25-26-28/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H,22,24,30).
What are the key properties of N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55896049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).