N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

C22H21N5O — CID 17457885

IUPACN-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C22H21N5O/c28-22(23-19-11-5-8-16-7-1-2-10-18(16)19)26-13-6-9-17(15-26)21-25-24-20-12-3-4-14-27(20)21/h1-5,7-8,10-12,14,17H,6,9,13,15H2,(H,23,28)
InChIKeyVRLQVYZODVYABK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.29
Rot. Bonds2

About N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 17457885) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID17457885
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCCC(c2nnc3ccccn23)C1
InChIInChI=1S/C22H21N5O/c28-22(23-19-11-5-8-16-7-1-2-10-18(16)19)26-13-6-9-17(15-26)21-25-24-20-12-3-4-14-27(20)21/h1-5,7-8,10-12,14,17H,6,9,13,15H2,(H,23,28)
InChIKeyVRLQVYZODVYABK-UHFFFAOYSA-N
XLogP4.29
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrrol-1-yl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 128963578
(3R)-N-(4-methylpentyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 94030932
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
CID 126823598
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
2-hydroxy-2-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110881752
(2-iodophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42896883
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
3-(4-tert-butylphenyl)-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 51926466
1-(4-chlorophenyl)-4-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butane-1,4-dione
CID 38172531

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 17457885) is N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCCC(c2nnc3ccccn23)C1.
What is the InChIKey of N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is VRLQVYZODVYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(23-19-11-5-8-16-7-1-2-10-18(16)19)26-13-6-9-17(15-26)21-25-24-20-12-3-4-14-27(20)21/h1-5,7-8,10-12,14,17H,6,9,13,15H2,(H,23,28).
What are the key properties of N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 17457885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).