3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid

C17H17ClN4O3 — CID 126794812

IUPAC3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H17ClN4O3/c18-13-7-12(17(24)25)8-14(9-13)21-16(23)11-1-5-22(6-2-11)15-10-19-3-4-20-15/h3-4,7-11H,1-2,5-6H2,(H,21,23)(H,24,25)
InChIKeyBUKJEYSFZPVMAC-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.68
Rot. Bonds4

About 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid

3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid (PubChem CID 126794812) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
PubChem CID126794812
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1
InChIInChI=1S/C17H17ClN4O3/c18-13-7-12(17(24)25)8-14(9-13)21-16(23)11-1-5-22(6-2-11)15-10-19-3-4-20-15/h3-4,7-11H,1-2,5-6H2,(H,21,23)(H,24,25)
InChIKeyBUKJEYSFZPVMAC-UHFFFAOYSA-N
XLogP2.68
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166239062
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 78892568
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 71869796
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166244884
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 30840212

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid (CID 126794812) is 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid is O=C(O)c1cc(Cl)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1.
What is the InChIKey of 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid?
The InChIKey is BUKJEYSFZPVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c18-13-7-12(17(24)25)8-14(9-13)21-16(23)11-1-5-22(6-2-11)15-10-19-3-4-20-15/h3-4,7-11H,1-2,5-6H2,(H,21,23)(H,24,25).
What are the key properties of 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid?
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid has a molecular weight of 360.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 126794812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).