N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide

C20H23N7O — CID 87008642

IUPACN-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(Cc3nnnn3-c3ccccc3)C2)n1
InChIInChI=1S/C20H23N7O/c1-15-7-5-11-18(21-15)22-20(28)16-8-6-12-26(13-16)14-19-23-24-25-27(19)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,21,22,28)
InChIKeyWPLQJXWZKVFLAP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.22
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide

N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 87008642) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID87008642
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(Cc3nnnn3-c3ccccc3)C2)n1
InChIInChI=1S/C20H23N7O/c1-15-7-5-11-18(21-15)22-20(28)16-8-6-12-26(13-16)14-19-23-24-25-27(19)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,21,22,28)
InChIKeyWPLQJXWZKVFLAP-UHFFFAOYSA-N
XLogP2.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methyl-2-pyridinyl)-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
CID 47066462
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917289
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47525319
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136525947
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 136519485
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
(3S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94535153
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 120898680
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
methyl 2-methyl-5-[[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 78903955

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide (CID 87008642) is N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(Cc3nnnn3-c3ccccc3)C2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is WPLQJXWZKVFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-15-7-5-11-18(21-15)22-20(28)16-8-6-12-26(13-16)14-19-23-24-25-27(19)17-9-3-2-4-10-17/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,21,22,28).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 87008642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).