N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide

C20H22N6O2 — CID 72930379

IUPACN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)N3CCC(Oc4cccnc4)CC3)cc2)n[nH]1
InChIInChI=1S/C20H22N6O2/c1-14-22-19(25-24-14)15-4-6-16(7-5-15)23-20(27)26-11-8-17(9-12-26)28-18-3-2-10-21-13-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyVEZLOMKUCKMNQY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.25
Rot. Bonds4

About N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide (PubChem CID 72930379) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide
PubChem CID72930379
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)N3CCC(Oc4cccnc4)CC3)cc2)n[nH]1
InChIInChI=1S/C20H22N6O2/c1-14-22-19(25-24-14)15-4-6-16(7-5-15)23-20(27)26-11-8-17(9-12-26)28-18-3-2-10-21-13-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyVEZLOMKUCKMNQY-UHFFFAOYSA-N
XLogP3.25
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506
(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
CID 95571020
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]urea
CID 125156208
N-[4-[1-[(2S)-oxolane-2-carbonyl]pyrrolidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011158
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 122566404
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide (CID 72930379) is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide is Cc1nc(-c2ccc(NC(=O)N3CCC(Oc4cccnc4)CC3)cc2)n[nH]1.
What is the InChIKey of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide?
The InChIKey is VEZLOMKUCKMNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-22-19(25-24-14)15-4-6-16(7-5-15)23-20(27)26-11-8-17(9-12-26)28-18-3-2-10-21-13-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide?
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 72930379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).