N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide

C19H21N7O — CID 72904671

IUPACN-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCN(c2nnnn2-c2ccccc2)C1)c1cccnc1
InChIInChI=1S/C19H21N7O/c27-18(16-7-4-10-20-13-16)21-12-15-6-5-11-25(14-15)19-22-23-24-26(19)17-8-2-1-3-9-17/h1-4,7-10,13,15H,5-6,11-12,14H2,(H,21,27)
InChIKeyRYDJZHXUBQZIIN-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.70
Rot. Bonds5

About N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 72904671) has the molecular formula C19H21N7O and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID72904671
Molecular FormulaC19H21N7O
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC NameN-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCN(c2nnnn2-c2ccccc2)C1)c1cccnc1
InChIInChI=1S/C19H21N7O/c27-18(16-7-4-10-20-13-16)21-12-15-6-5-11-25(14-15)19-22-23-24-26(19)17-8-2-1-3-9-17/h1-4,7-10,13,15H,5-6,11-12,14H2,(H,21,27)
InChIKeyRYDJZHXUBQZIIN-UHFFFAOYSA-N
XLogP1.70
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70759328
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97283559
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 99855098

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide (CID 72904671) is N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCCN(c2nnnn2-c2ccccc2)C1)c1cccnc1.
What is the InChIKey of N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is RYDJZHXUBQZIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c27-18(16-7-4-10-20-13-16)21-12-15-6-5-11-25(14-15)19-22-23-24-26(19)17-8-2-1-3-9-17/h1-4,7-10,13,15H,5-6,11-12,14H2,(H,21,27).
What are the key properties of N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 72904671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).