3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide

C19H25N5O2 — CID 55950744

IUPAC3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1nccnc1N)N1CCCCC1
InChIInChI=1S/C19H25N5O2/c1-26-16-8-4-3-7-14(16)15(24-11-5-2-6-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h3-4,7-10,15H,2,5-6,11-13H2,1H3,(H2,20,22)(H,23,25)
InChIKeyXRDVBUZHCFHUQS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.02
Rot. Bonds6

About 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide

3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide (PubChem CID 55950744) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
PubChem CID55950744
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1nccnc1N)N1CCCCC1
InChIInChI=1S/C19H25N5O2/c1-26-16-8-4-3-7-14(16)15(24-11-5-2-6-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h3-4,7-10,15H,2,5-6,11-13H2,1H3,(H2,20,22)(H,23,25)
InChIKeyXRDVBUZHCFHUQS-UHFFFAOYSA-N
XLogP2.02
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide (CID 55950744) is 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide is COc1ccccc1C(CNC(=O)c1nccnc1N)N1CCCCC1.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
The InChIKey is XRDVBUZHCFHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-16-8-4-3-7-14(16)15(24-11-5-2-6-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h3-4,7-10,15H,2,5-6,11-13H2,1H3,(H2,20,22)(H,23,25).
What are the key properties of 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 55950744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).