(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide

C17H17Cl2N5O2 — CID 99607470

IUPAC(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
SMILESNc1nccnc1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N5O2/c18-10-4-5-12(11(19)9-10)23-16(25)13-3-1-2-8-24(13)17(26)14-15(20)22-7-6-21-14/h4-7,9,13H,1-3,8H2,(H2,20,22)(H,23,25)/t13-/m0/s1
InChIKeyHVDVYJPVWCPNLP-ZDUSSCGKSA-N
MW394.26 g/mol
LogP3.00
Rot. Bonds3

About (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide

(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 99607470) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
PubChem CID99607470
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
SMILESNc1nccnc1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N5O2/c18-10-4-5-12(11(19)9-10)23-16(25)13-3-1-2-8-24(13)17(26)14-15(20)22-7-6-21-14/h4-7,9,13H,1-3,8H2,(H2,20,22)(H,23,25)/t13-/m0/s1
InChIKeyHVDVYJPVWCPNLP-ZDUSSCGKSA-N
XLogP3.00
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
N-(2,4-dichlorophenyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 47045151
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 78864921
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide (CID 99607470) is (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide is Nc1nccnc1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is HVDVYJPVWCPNLP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c18-10-4-5-12(11(19)9-10)23-16(25)13-3-1-2-8-24(13)17(26)14-15(20)22-7-6-21-14/h4-7,9,13H,1-3,8H2,(H2,20,22)(H,23,25)/t13-/m0/s1.
What are the key properties of (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 99607470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).