N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C22H25N5O — CID 120567823

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESNCC(NC(=O)C1CCN(c2cnccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N5O/c23-14-20(19-6-5-16-3-1-2-4-18(16)13-19)26-22(28)17-7-11-27(12-8-17)21-15-24-9-10-25-21/h1-6,9-10,13,15,17,20H,7-8,11-12,14,23H2,(H,26,28)
InChIKeyXJPGTVHLZCBCPZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.66
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 120567823) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID120567823
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESNCC(NC(=O)C1CCN(c2cnccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N5O/c23-14-20(19-6-5-16-3-1-2-4-18(16)13-19)26-22(28)17-7-11-27(12-8-17)21-15-24-9-10-25-21/h1-6,9-10,13,15,17,20H,7-8,11-12,14,23H2,(H,26,28)
InChIKeyXJPGTVHLZCBCPZ-UHFFFAOYSA-N
XLogP2.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 39629575
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
(3S)-3-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 124705094
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120567521
N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167942312
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120597776

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 120567823) is N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is NCC(NC(=O)C1CCN(c2cnccn2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is XJPGTVHLZCBCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c23-14-20(19-6-5-16-3-1-2-4-18(16)13-19)26-22(28)17-7-11-27(12-8-17)21-15-24-9-10-25-21/h1-6,9-10,13,15,17,20H,7-8,11-12,14,23H2,(H,26,28).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120567823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).