N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C19H22N8O — CID 120566735

IUPACN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESNCc1nc(-c2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)n[nH]1
InChIInChI=1S/C19H22N8O/c20-11-16-24-18(26-25-16)13-1-3-15(4-2-13)23-19(28)14-5-9-27(10-6-14)17-12-21-7-8-22-17/h1-4,7-8,12,14H,5-6,9-11,20H2,(H,23,28)(H,24,25,26)
InChIKeySTFWUWUVGOKUTD-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.58
Rot. Bonds5

About N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 120566735) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID120566735
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESNCc1nc(-c2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)n[nH]1
InChIInChI=1S/C19H22N8O/c20-11-16-24-18(26-25-16)13-1-3-15(4-2-13)23-19(28)14-5-9-27(10-6-14)17-12-21-7-8-22-17/h1-4,7-8,12,14H,5-6,9-11,20H2,(H,23,28)(H,24,25,26)
InChIKeySTFWUWUVGOKUTD-UHFFFAOYSA-N
XLogP1.58
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 120566495
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxolane-3-carboxamide
CID 120566585
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 120566669
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxane-2-carboxamide
CID 120566581
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-benzylpiperidine-2-carboxamide
CID 120566843
3-N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120566277
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 120566139
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 120566735) is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is NCc1nc(-c2ccc(NC(=O)C3CCN(c4cnccn4)CC3)cc2)n[nH]1.
What is the InChIKey of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is STFWUWUVGOKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c20-11-16-24-18(26-25-16)13-1-3-15(4-2-13)23-19(28)14-5-9-27(10-6-14)17-12-21-7-8-22-17/h1-4,7-8,12,14H,5-6,9-11,20H2,(H,23,28)(H,24,25,26).
What are the key properties of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120566735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).