3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide

C19H25N5O2 — CID 42883480

IUPAC3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2nccnc2N)N2CCCCC2)cc1
InChIInChI=1S/C19H25N5O2/c1-26-15-7-5-14(6-8-15)16(24-11-3-2-4-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h5-10,16H,2-4,11-13H2,1H3,(H2,20,22)(H,23,25)
InChIKeyOVPKUCNYSRIBOK-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.02
Rot. Bonds6

About 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide

3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide (PubChem CID 42883480) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
PubChem CID42883480
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2nccnc2N)N2CCCCC2)cc1
InChIInChI=1S/C19H25N5O2/c1-26-15-7-5-14(6-8-15)16(24-11-3-2-4-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h5-10,16H,2-4,11-13H2,1H3,(H2,20,22)(H,23,25)
InChIKeyOVPKUCNYSRIBOK-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-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110301839
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 35574949
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide (CID 42883480) is 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide is COc1ccc(C(CNC(=O)c2nccnc2N)N2CCCCC2)cc1.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
The InChIKey is OVPKUCNYSRIBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-15-7-5-14(6-8-15)16(24-11-3-2-4-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h5-10,16H,2-4,11-13H2,1H3,(H2,20,22)(H,23,25).
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(4-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-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42883480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).